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

Systemtic Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-(p-tolyl)propyl]acetamide CAS Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-(p-tolyl)propyl]acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-3-21(18-6-4-17(2)5-7-18)23-22(27)16-24-12-14-25(15-13-24)19-8-10-20(11-9-19)26(28)29/h4-11,21H,3,12-16H2,1-2H3,(H,23,27)/p+1/t21-/m1/s1