(2R)-2-[4-(4-cyano-2-nitro-phenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-(4-cyano-2-nitro-phenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(4-cyano-2-nitro-phenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-2-[4-(4-cyano-2-nitrophenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-2-[4-(4-cyano-2-nitrophenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-(4-cyano-2-nitro-phenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C19H20N5O3+ MolecularWeight: 366.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)N)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)N)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3/c20-13-14-6-7-16(17(12-14)24(26)27)22-8-10-23(11-9-22)18(19(21)25)15-4-2-1-3-5-15/h1-7,12,18H,8-11H2,(H2,21,25)/p+1/t18-/m1/s1