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

Systemtic Name: 2-(3-nitrophenoxy)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(3-nitrophenoxy)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(3-nitrophenoxy)-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(3-nitrophenoxy)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(3-nitrophenoxy)-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]acetamide Formula: C18H21N4O4+ MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4/c23-18(13-26-16-5-3-4-15(10-16)22(24)25)20-12-14-6-7-17(19-11-14)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12-13H2,(H,20,23)/p+1