3-(1-azanylethyl)-4-butoxy-6,7-bis(chloranyl)-2-methyl-isoquinolin-1-one hydrochloride

Systemtic Name: 3-(1-azanylethyl)-4-butoxy-6,7-bis(chloranyl)-2-methyl-isoquinolin-1-one hydrochloride Openeye Name: 3-(1-aminoethyl)-4-butoxy-6,7-dichloro-2-methyl-isoquinolin-1-one hydrochloride CAS Name: 3-(1-aminoethyl)-4-butoxy-6,7-dichloro-2-methyl-1-isoquinolinone hydrochloride IUPAC Name: 3-(1-aminoethyl)-4-butoxy-6,7-dichloro-2-methylisoquinolin-1-one hydrochloride Traditional Name: 3-(1-aminoethyl)-4-butoxy-6,7-dichloro-2-methyl-isocarbostyril hydrochloride Formula: C16H21Cl3N2O2 MolecularWeight: 379.70914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20Cl2N2O2.ClH/c1-4-5-6-22-15-10-7-12(17)13(18)8-11(10)16(21)20(3)14(15)9(2)19;/h7-9H,4-6,19H2,1-3H3;1H