(2R)-2-[4-(3-nitropyridin-2-yl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-(3-nitropyridin-2-yl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(3-nitro-2-pyridyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-2-[4-(3-nitro-2-pyridinyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-2-[4-(3-nitropyridin-2-yl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-(3-nitro-2-pyridyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C17H20N5O3+ MolecularWeight: 342.3724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)N)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)N)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3/c18-16(23)15(13-5-2-1-3-6-13)20-9-11-21(12-10-20)17-14(22(24)25)7-4-8-19-17/h1-8,15H,9-12H2,(H2,18,23)/p+1/t15-/m1/s1