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

Systemtic Name: 3,4,5-trimethoxy-2-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Openeye Name: 3,4,5-trimethoxy-2-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide CAS Name: 3,4,5-trimethoxy-2-nitro-N-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]benzamide IUPAC Name: 3,4,5-trimethoxy-2-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Traditional Name: 3,4,5-trimethoxy-2-nitro-N-(6-pyrrolidinopyridin-1-ium-3-yl)benzamide Formula: C19H23N4O6+ MolecularWeight: 403.40912

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O6/c1-27-14-10-13(16(23(25)26)18(29-3)17(14)28-2)19(24)21-12-6-7-15(20-11-12)22-8-4-5-9-22/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,24)/p+1