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

Systemtic Name: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(R)-cyclopropyl(p-tolyl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(R)-cyclopropyl(p-tolyl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CC2)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2CC2)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O3/c1-17-2-4-18(5-3-17)23(19-6-7-19)24-22(28)16-25-12-14-26(15-13-25)20-8-10-21(11-9-20)27(29)30/h2-5,8-11,19,23H,6-7,12-16H2,1H3,(H,24,28)/p+1/t23-/m0/s1