N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-nitro-benzamide

Systemtic Name: N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-nitro-benzamide Openeye Name: N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]-3-nitro-benzamide CAS Name: N-[(2R)-2-(4-methylphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-nitrobenzamide Traditional Name: N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]-3-nitro-benzamide Formula: C21H28N4O3+2 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C21H26N4O3/c1-16-6-8-17(9-7-16)20(24-12-10-23(2)11-13-24)15-22-21(26)18-4-3-5-19(14-18)25(27)28/h3-9,14,20H,10-13,15H2,1-2H3,(H,22,26)/p+2/t20-/m0/s1