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

Systemtic Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]methyl-[(2-chlorophenyl)methyl]azanium Openeye Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl-[(2-chlorophenyl)methyl]ammonium CAS Name: [3-acetamido-5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methyl-[(2-chlorophenyl)methyl]ammonium IUPAC Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl-[(2-chlorophenyl)methyl]azanium Traditional Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-carbonyl)benzyl]-(2-chlorobenzyl)ammonium Formula: C22H29ClN4O2+2 MolecularWeight: 416.94426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=CC=C2Cl)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=CC=C2Cl)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H27ClN4O2/c1-16(28)25-20-12-17(14-24-15-18-5-3-4-6-21(18)23)11-19(13-20)22(29)27-9-7-26(2)8-10-27/h3-6,11-13,24H,7-10,14-15H2,1-2H3,(H,25,28)/p+2