3-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-4-nitro-benzamide

Systemtic Name: 3-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-4-nitrobenzamide Traditional Name: 3-methyl-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-4-nitro-benzamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O3/c1-16-4-3-5-19(14-16)24-12-10-23(11-13-24)9-8-22-21(26)18-6-7-20(25(27)28)17(2)15-18/h3-7,14-15H,8-13H2,1-2H3,(H,22,26)/p+1