4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-N-(3-piperidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[2-(4-fluoroanilino)-2-oxo-ethoxy]-3-methoxy-N-(3-piperidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[3-(1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-[2-(4-fluoroanilino)-2-keto-ethoxy]-3-methoxy-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Formula: C24H31FN3O4+ MolecularWeight: 444.519043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCCC[NH+]2CCCCC2)OCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCCC[NH+]2CCCCC2)OCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C24H30FN3O4/c1-31-22-16-18(24(30)26-12-5-15-28-13-3-2-4-14-28)6-11-21(22)32-17-23(29)27-20-9-7-19(25)8-10-20/h6-11,16H,2-5,12-15,17H2,1H3,(H,26,30)(H,27,29)/p+1