2-[(4-ethanoyl-2-nitro-phenyl)-methyl-amino]-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(4-ethanoyl-2-nitro-phenyl)-methyl-amino]-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-acetyl-N-methyl-2-nitro-anilino)-1-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-acetyl-N-methyl-2-nitroanilino)-1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-acetyl-N-methyl-2-nitroanilino)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-acetyl-N-methyl-2-nitro-anilino)-1-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethanone Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c1-17-5-4-6-19(13-17)15-25-9-11-26(12-10-25)23(29)16-24(3)21-8-7-20(18(2)28)14-22(21)27(30)31/h4-8,13-14H,9-12,15-16H2,1-3H3/p+1