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

Systemtic Name: 3-(aminomethyl)-6-bromanyl-4-butoxy-2-(2-methylpropyl)isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-6-bromo-4-butoxy-2-isobutyl-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-6-bromo-4-butoxy-2-(2-methylpropyl)-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-6-bromo-4-butoxy-2-(2-methylpropyl)isoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-6-bromo-4-butoxy-2-isobutyl-isocarbostyril hydrochloride Formula: C18H26BrClN2O2 MolecularWeight: 417.76824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN2O2.ClH/c1-4-5-8-23-17-15-9-13(19)6-7-14(15)18(22)21(11-12(2)3)16(17)10-20;/h6-7,9,12H,4-5,8,10-11,20H2,1-3H3;1H