3-(aminomethyl)-2-(2-methylpropyl)-6-methylsulfanyl-4-phenyl-isoquinolin-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-2-(2-methylpropyl)-6-methylsulfanyl-4-phenyl-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-2-isobutyl-6-methylsulfanyl-4-phenyl-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-2-(2-methylpropyl)-6-(methylthio)-4-phenyl-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-2-(2-methylpropyl)-6-methylsulfanyl-4-phenylisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-2-isobutyl-6-(methylthio)-4-phenyl-isocarbostyril hydrochloride Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2OS.ClH/c1-14(2)13-23-19(12-22)20(15-7-5-4-6-8-15)18-11-16(25-3)9-10-17(18)21(23)24;/h4-11,14H,12-13,22H2,1-3H3;1H