(2S)-N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]butanamide

Systemtic Name: (2S)-N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]butanamide Openeye Name: (2S)-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]butanamide CAS Name: (2S)-N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]butanamide IUPAC Name: (2S)-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]butanamide Traditional Name: (2S)-N-(4-fluorophenyl)-2-(4-p-anisoylpiperidin-1-ium-1-yl)butyramide Formula: C23H28FN2O3+ MolecularWeight: 399.478423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=C(C=C1)F)[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H27FN2O3/c1-3-21(23(28)25-19-8-6-18(24)7-9-19)26-14-12-17(13-15-26)22(27)16-4-10-20(29-2)11-5-16/h4-11,17,21H,3,12-15H2,1-2H3,(H,25,28)/p+1/t21-/m0/s1