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

Systemtic Name: N-[1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide Openeye Name: N-[1-[2-(4-fluoroanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide CAS Name: N-[1-[2-(4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-iumyl]-2-methylbenzamide IUPAC Name: N-[1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide Traditional Name: N-[1-[2-(4-fluoroanilino)-2-keto-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide Formula: C21H25FN3O2+ MolecularWeight: 370.440503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O2/c1-15-4-2-3-5-19(15)21(27)24-18-10-12-25(13-11-18)14-20(26)23-17-8-6-16(22)7-9-17/h2-9,18H,10-14H2,1H3,(H,23,26)(H,24,27)/p+1