[3-acetamido-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]methyl-[[3-(2-methylphenyl)phenyl]methyl]azanium

Systemtic Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]methyl-[[3-(2-methylphenyl)phenyl]methyl]azanium Openeye Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl-[[3-(o-tolyl)phenyl]methyl]ammonium CAS Name: [3-acetamido-5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methyl-[[3-(2-methylphenyl)phenyl]methyl]ammonium IUPAC Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl-[[3-(2-methylphenyl)phenyl]methyl]azanium Traditional Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-carbonyl)benzyl]-[3-(o-tolyl)benzyl]ammonium Formula: C29H36N4O2+2 MolecularWeight: 472.62174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC=C2)C[NH2+]CC3=CC(=CC(=C3)C(=O)N4CC[NH+](CC4)C)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)C[NH2+]CC3=CC(=CC(=C3)C(=O)N4CC[NH+](CC4)C)NC(=O)C

InChI

InChI=1S/C29H34N4O2/c1-21-7-4-5-10-28(21)25-9-6-8-23(15-25)19-30-20-24-16-26(18-27(17-24)31-22(2)34)29(35)33-13-11-32(3)12-14-33/h4-10,15-18,30H,11-14,19-20H2,1-3H3,(H,31,34)/p+2