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

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-4-butoxy-2-neopentyl-isocarbostyril hydrochloride Formula: C19H29ClN2O2 MolecularWeight: 352.89876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC=CC=C21)CC(C)(C)C)CN.Cl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC=CC=C21)CC(C)(C)C)CN.Cl

InChI

InChI=1S/C19H28N2O2.ClH/c1-5-6-11-23-17-14-9-7-8-10-15(14)18(22)21(16(17)12-20)13-19(2,3)4;/h7-10H,5-6,11-13,20H2,1-4H3;1H