2-(2-nitrophenyl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-(2-nitrophenyl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(2-nitrophenyl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(2-nitrophenyl)-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(2-nitrophenyl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(2-nitrophenyl)-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]acetamide Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3/c23-18(11-15-5-1-2-6-16(15)22(24)25)20-13-14-7-8-17(19-12-14)21-9-3-4-10-21/h1-2,5-8,12H,3-4,9-11,13H2,(H,20,23)/p+1