3-(aminomethyl)-2-(2-methylpropyl)-6-oxidanyl-4-thiophen-2-yl-isoquinolin-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-2-(2-methylpropyl)-6-oxidanyl-4-thiophen-2-yl-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-6-hydroxy-2-isobutyl-4-(2-thienyl)isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-6-hydroxy-2-(2-methylpropyl)-4-thiophen-2-yl-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-6-hydroxy-2-(2-methylpropyl)-4-thiophen-2-ylisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-6-hydroxy-2-isobutyl-4-(2-thienyl)isocarbostyril hydrochloride Formula: C18H21ClN2O2S MolecularWeight: 364.88954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)O)C3=CC=CS3)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)O)C3=CC=CS3)CN.Cl

InChI

InChI=1S/C18H20N2O2S.ClH/c1-11(2)10-20-15(9-19)17(16-4-3-7-23-16)14-8-12(21)5-6-13(14)18(20)22;/h3-8,11,21H,9-10,19H2,1-2H3;1H