N-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-9-pyridin-1-ium-1-yl-nonanamide bromide

Systemtic Name: N-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-9-pyridin-1-ium-1-yl-nonanamide bromide Openeye Name: N-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-9-pyridin-1-ium-1-yl-nonanamide bromide CAS Name: N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-9-(1-pyridin-1-iumyl)nonanamide bromide IUPAC Name: N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-9-pyridin-1-ium-1-ylnonanamide bromide Traditional Name: N-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-9-pyridin-1-ium-1-yl-pelargonamide bromide Formula: C23H33BrN2O2 MolecularWeight: 449.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2.BrH/c1-20(23(27)21-14-8-6-9-15-21)24-22(26)16-10-4-2-3-5-11-17-25-18-12-7-13-19-25;/h6-9,12-15,18-20,23,27H,2-5,10-11,16-17H2,1H3;1H/t20-,23-;/m1./s1