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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-17-4-2-3-5-18(17)10-11-22-21(26)16-23-12-14-24(15-13-23)19-6-8-20(9-7-19)25(27)28/h2-9H,10-16H2,1H3,(H,22,26)/p+1