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

Systemtic Name: N-[1-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide Openeye Name: N-[1-[2-(3-fluoroanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide CAS Name: N-[1-[2-(3-fluoroanilino)-2-oxoethyl]-4-piperidin-1-iumyl]-2-methylbenzamide IUPAC Name: N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide Traditional Name: N-[1-[2-(3-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(=CC=C3)F

Isomeric SMILES

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

InChI

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