N-[1-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[1-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[1-[2-(2-fluoroanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-3,4-dimethoxy-benzamide CAS Name: N-[1-[2-(2-fluoroanilino)-2-oxoethyl]-4-piperidin-1-iumyl]-3,4-dimethoxybenzamide IUPAC Name: N-[1-[2-(2-fluoroanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-3,4-dimethoxybenzamide Traditional Name: N-[1-[2-(2-fluoroanilino)-2-keto-ethyl]piperidin-1-ium-4-yl]-3,4-dimethoxy-benzamide Formula: C22H27FN3O4+ MolecularWeight: 416.465883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3F)OC

InChI

InChI=1S/C22H26FN3O4/c1-29-19-8-7-15(13-20(19)30-2)22(28)24-16-9-11-26(12-10-16)14-21(27)25-18-6-4-3-5-17(18)23/h3-8,13,16H,9-12,14H2,1-2H3,(H,24,28)(H,25,27)/p+1