1-[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(1R)-1-[(4-fluorophenyl)carbamoyl]propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-1-(4-fluoroanilino)-1-oxobutan-2-yl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2R)-1-(4-fluoroanilino)-1-oxobutan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(1R)-1-[(4-fluorophenyl)carbamoyl]propyl]piperidin-1-ium-4-carboxamide Formula: C23H29FN3O2+ MolecularWeight: 398.493663

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=C(C=C1)F)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H28FN3O2/c1-2-21(23(29)26-20-10-8-19(24)9-11-20)27-14-12-18(13-15-27)22(28)25-16-17-6-4-3-5-7-17/h3-11,18,21H,2,12-16H2,1H3,(H,25,28)(H,26,29)/p+1/t21-/m1/s1