Summary
SMILES: COc1c(O)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1.[Cl-]InChI: InChI=1S/C19H15NO4.ClH/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21;/h2-3,6-9H,4-5,10H2,1H3;1HInChIKey: QKDAYMOWDPMRHC-UHFFFAOYSA-N
DeepSMILES: COccO)cccc6c[n+]CCcc-c6c%10))cccc6)OCO5.[Cl-]
Scaffold Graph/Node/Bond level: c1ccc2c[n+]3c(cc2c1)-c1cc2c(cc1CC3)OCO2
Scaffold Graph/Node level: C1CCC2CN3CCC4CC5OCOC5CC4C3CC2C1
Scaffold Graph level: C1CCC2CC3C(CCC4CC5CCCC5CC43)CC2C1
Functional groups: [Cl-]; c1cOCO1; cO; cOC; c[n+](c)C
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Protoberberine alkaloids and derivatives
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Protoberberine alkaloids|Isoquinoline alkaloids
Synonymous chemical names:thalifendine chloride
External chemical identifiers:CID:5321913; ChEMBL:CHEMBL491544
Chemical structure download