N-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-15-pyridin-1-ium-1-yl-pentadecanamide bromide

Systemtic Name: N-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-15-pyridin-1-ium-1-yl-pentadecanamide bromide Openeye Name: N-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-15-pyridin-1-ium-1-yl-pentadecanamide bromide CAS Name: N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-15-(1-pyridin-1-iumyl)pentadecanamide bromide IUPAC Name: N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-15-pyridin-1-ium-1-ylpentadecanamide bromide Traditional Name: N-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-15-pyridin-1-ium-1-yl-pentadecanamide bromide Formula: C29H45BrN2O2 MolecularWeight: 533.5838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O2.BrH/c1-26(29(33)27-20-14-12-15-21-27)30-28(32)22-16-10-8-6-4-2-3-5-7-9-11-17-23-31-24-18-13-19-25-31;/h12-15,18-21,24-26,29,33H,2-11,16-17,22-23H2,1H3;1H/t26-,29-;/m1./s1