N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-15-8-9-19(25(27)28)21(17(15)3)22-20(26)14-23-10-12-24(13-11-23)18-7-5-4-6-16(18)2/h4-9H,10-14H2,1-3H3,(H,22,26)/p+1