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

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-methyl-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-methyl-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-methyl-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-methylisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-4-butoxy-6-methyl-2-neopentyl-isocarbostyril hydrochloride Formula: C20H31ClN2O2 MolecularWeight: 366.92534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O2.ClH/c1-6-7-10-24-18-16-11-14(2)8-9-15(16)19(23)22(17(18)12-21)13-20(3,4)5;/h8-9,11H,6-7,10,12-13,21H2,1-5H3;1H