2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide

Systemtic Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide Openeye Name: N-[2-(4-nitroanilino)ethyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-N-[2-(4-nitroanilino)ethyl]acetamide IUPAC Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-nitroanilino)ethyl]acetamide Traditional Name: N-[2-(4-nitroanilino)ethyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O3/c1-17-4-2-3-5-20(17)25-14-12-24(13-15-25)16-21(27)23-11-10-22-18-6-8-19(9-7-18)26(28)29/h2-9,22H,10-16H2,1H3,(H,23,27)/p+1