Summary

IMPPAT Phytochemical identifier: IMPHY016837

Phytochemical name: 1-Ethylquinolinium iodide

Synonymous chemical names:
quinoline ethiodide

External chemical identifiers:
CID:69446, SureChEMBL:SCHEMBL186988, MolPort-001-783-122

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Chemical structure information

SMILES:
CC[n+]1cccc2c1cccc2.[I-]

InChI:
InChI=1S/C11H12N.HI/c1-2-12-9-5-7-10-6-3-4-8-11(10)12;/h3-9H,2H2,1H3;1H/q+1;/p-1

InChIKey:
PMYUGMDDIBOXQM-UHFFFAOYSA-M

DeepSMILES:
CC[n+]ccccc6cccc6.[I-]

Functional groups:
[I-], c[n+](c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2[nH+]cccc2c1

Scaffold Graph/Node level:
C1CCC2NCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.31

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Chemical structure download