N-(2-methyl-6-nitro-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methyl-6-nitro-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methyl-6-nitrophenyl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-6-nitrophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methyl-6-nitro-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C20H24N4O3/c1-15-6-3-4-8-17(15)23-12-10-22(11-13-23)14-19(25)21-20-16(2)7-5-9-18(20)24(26)27/h3-9H,10-14H2,1-2H3,(H,21,25)/p+1