4,5-dimethoxy-2-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Traditional Name: 4,5-dimethoxy-2-nitro-N-(6-pyrrolidinopyridin-1-ium-3-yl)benzamide Formula: C18H21N4O5+ MolecularWeight: 373.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5/c1-26-15-9-13(14(22(24)25)10-16(15)27-2)18(23)20-12-5-6-17(19-11-12)21-7-3-4-8-21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,20,23)/p+1