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

Systemtic Name: N-[1-[(2S)-1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(1S)-2-[(3-fluorophenyl)methyl-methyl-amino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[(1S)-2-[(3-fluorobenzyl)-methyl-amino]-2-keto-1-methyl-ethyl]piperidin-1-ium-4-yl]benzamide Formula: C23H29FN3O2+ MolecularWeight: 398.493663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O2/c1-17(23(29)26(2)16-18-7-6-10-20(24)15-18)27-13-11-21(12-14-27)25-22(28)19-8-4-3-5-9-19/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,25,28)/p+1/t17-/m0/s1