3-(4-ethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-(4-ethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 3-(4-ethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)-2-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 3-(4-ethoxyphenyl)-4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-[2-(4-morpholin-4-iumyl)ethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-(4-ethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)-2-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-methylpiperazin-4-ium-1-carbonyl)-2-(2-morpholin-4-ium-4-ylethyl)-3-p-phenetyl-3,4-dihydroisocarbostyril Formula: C29H40N4O4+2 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC[NH+]4CCOCC4)C(=O)N5CC[NH+](CC5)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC[NH+]4CCOCC4)C(=O)N5CC[NH+](CC5)C

InChI

InChI=1S/C29H38N4O4/c1-3-37-23-10-8-22(9-11-23)27-26(29(35)32-15-12-30(2)13-16-32)24-6-4-5-7-25(24)28(34)33(27)17-14-31-18-20-36-21-19-31/h4-11,26-27H,3,12-21H2,1-2H3/p+2