N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28N5O4+ MolecularWeight: 426.48882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4/c1-17-3-5-18(6-4-17)23-21(28)15-24(2)22(29)16-25-11-13-26(14-12-25)19-7-9-20(10-8-19)27(30)31/h3-10H,11-16H2,1-2H3,(H,23,28)/p+1