3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-oxidanyl-isoquinolin-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-oxidanyl-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-hydroxy-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-hydroxy-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-7-hydroxyisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-4-butoxy-7-hydroxy-2-neopentyl-isocarbostyril hydrochloride Formula: C19H29ClN2O3 MolecularWeight: 368.89816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=CC(=C2)O)CC(C)(C)C)CN.Cl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=CC(=C2)O)CC(C)(C)C)CN.Cl

InChI

InChI=1S/C19H28N2O3.ClH/c1-5-6-9-24-17-14-8-7-13(22)10-15(14)18(23)21(16(17)11-20)12-19(2,3)4;/h7-8,10,22H,5-6,9,11-12,20H2,1-4H3;1H