N-(3-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-(m-tolyl)-3-nitro-benzamide CAS Name: N-(3-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-(3-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-(m-tolyl)-3-nitro-benzamide Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3/c1-14-4-3-5-16(12-14)20-19(24)15-6-7-17(18(13-15)23(25)26)22-10-8-21(2)9-11-22/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)/p+1