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

Systemtic Name: (2R)-N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-N-cyclopropyl-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3/c26-21(22-17-6-7-17)20(16-4-2-1-3-5-16)24-14-12-23(13-15-24)18-8-10-19(11-9-18)25(27)28/h1-5,8-11,17,20H,6-7,12-15H2,(H,22,26)/p+1/t20-/m1/s1