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

Systemtic Name: 4-methoxy-3-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Openeye Name: 4-methoxy-3-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide CAS Name: 4-methoxy-3-nitro-N-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Traditional Name: 4-methoxy-3-nitro-N-(6-pyrrolidinopyridin-1-ium-3-yl)benzamide Formula: C17H19N4O4+ MolecularWeight: 343.35716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C[NH+]=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C[NH+]=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4/c1-25-15-6-4-12(10-14(15)21(23)24)17(22)19-13-5-7-16(18-11-13)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,22)/p+1