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

Systemtic Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]methyl-[(3-phenoxyphenyl)methyl]azanium Openeye Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl-[(3-phenoxyphenyl)methyl]ammonium CAS Name: [3-acetamido-5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methyl-[(3-phenoxyphenyl)methyl]ammonium IUPAC Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl-[(3-phenoxyphenyl)methyl]azanium Traditional Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-carbonyl)benzyl]-(3-phenoxybenzyl)ammonium Formula: C28H34N4O3+2 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C28H32N4O3/c1-21(33)30-25-16-23(15-24(18-25)28(34)32-13-11-31(2)12-14-32)20-29-19-22-7-6-10-27(17-22)35-26-8-4-3-5-9-26/h3-10,15-18,29H,11-14,19-20H2,1-2H3,(H,30,33)/p+2