4-methoxy-3-nitro-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]benzamide Formula: C18H21N4O4+ MolecularWeight: 357.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4/c1-26-16-6-5-14(10-15(16)22(24)25)18(23)20-12-13-4-7-17(19-11-13)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,20,23)/p+1