3-(aminomethyl)-6-bromanyl-4-butoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-6-bromanyl-4-butoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-6-bromo-4-butoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-6-bromo-4-butoxy-2-(2,2-dimethylpropyl)-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-6-bromo-4-butoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-6-bromo-4-butoxy-2-neopentyl-isocarbostyril hydrochloride Formula: C19H28BrClN2O2 MolecularWeight: 431.79482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27BrN2O2.ClH/c1-5-6-9-24-17-15-10-13(20)7-8-14(15)18(23)22(16(17)11-21)12-19(2,3)4;/h7-8,10H,5-6,9,11-12,21H2,1-4H3;1H