3-(4-methoxyphenyl)-2-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 3-(4-methoxyphenyl)-2-methyl-4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisocarbostyril Formula: C29H32N3O3+ MolecularWeight: 470.58268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H31N3O3/c1-30-27(22-12-14-23(35-2)15-13-22)26(24-10-6-7-11-25(24)28(30)33)29(34)32-18-16-31(17-19-32)20-21-8-4-3-5-9-21/h3-15,26-27H,16-20H2,1-2H3/p+1