N-[1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-3-fluoranyl-benzamide Openeye Name: N-[1-[2-(3,5-dimethylanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-3-fluoro-benzamide CAS Name: N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-piperidin-1-iumyl]-3-fluorobenzamide IUPAC Name: N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-3-fluorobenzamide Traditional Name: N-[1-[2-(3,5-dimethylanilino)-2-keto-ethyl]piperidin-1-ium-4-yl]-3-fluoro-benzamide Formula: C22H27FN3O2+ MolecularWeight: 384.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C22H26FN3O2/c1-15-10-16(2)12-20(11-15)24-21(27)14-26-8-6-19(7-9-26)25-22(28)17-4-3-5-18(23)13-17/h3-5,10-13,19H,6-9,14H2,1-2H3,(H,24,27)(H,25,28)/p+1