(2R)-2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-2-[4-(5-nitro-2-pyridinyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-(5-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=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O3/c18-17(23)16(13-4-2-1-3-5-13)21-10-8-20(9-11-21)15-7-6-14(12-19-15)22(24)25/h1-7,12,16H,8-11H2,(H2,18,23)/p+1/t16-/m1/s1