N-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-5-pyridin-1-ium-1-yl-pentanamide bromide

Systemtic Name: N-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-5-pyridin-1-ium-1-yl-pentanamide bromide Openeye Name: N-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-5-pyridin-1-ium-1-yl-pentanamide bromide CAS Name: N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-5-(1-pyridin-1-iumyl)pentanamide bromide IUPAC Name: N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-5-pyridin-1-ium-1-ylpentanamide bromide Traditional Name: N-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-5-pyridin-1-ium-1-yl-valeramide bromide Formula: C19H25BrN2O2 MolecularWeight: 393.318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)NC(=O)CCCC[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)NC(=O)CCCC[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C19H24N2O2.BrH/c1-16(19(23)17-10-4-2-5-11-17)20-18(22)12-6-9-15-21-13-7-3-8-14-21;/h2-5,7-8,10-11,13-14,16,19,23H,6,9,12,15H2,1H3;1H/t16-,19-;/m1./s1