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

Systemtic Name: 5-ethoxy-4-methoxy-2-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Openeye Name: 5-ethoxy-4-methoxy-2-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide CAS Name: 5-ethoxy-4-methoxy-2-nitro-N-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]benzamide IUPAC Name: 5-ethoxy-4-methoxy-2-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Traditional Name: 5-ethoxy-4-methoxy-2-nitro-N-(6-pyrrolidinopyridin-1-ium-3-yl)benzamide Formula: C19H23N4O5+ MolecularWeight: 387.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NC2=C[NH+]=C(C=C2)N3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NC2=C[NH+]=C(C=C2)N3CCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H22N4O5/c1-3-28-17-10-14(15(23(25)26)11-16(17)27-2)19(24)21-13-6-7-18(20-12-13)22-8-4-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,24)/p+1