N-[(1S,2S)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-6-pyridin-1-ium-1-yl-hexanamide bromide

Systemtic Name: N-[(1S,2S)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-6-pyridin-1-ium-1-yl-hexanamide bromide Openeye Name: N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-phenyl-ethyl]-6-pyridin-1-ium-1-yl-hexanamide bromide CAS Name: N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-(1-pyridin-1-iumyl)hexanamide bromide IUPAC Name: N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-pyridin-1-ium-1-ylhexanamide bromide Traditional Name: N-[(1S,2S)-2-hydroxy-1-methylol-2-phenyl-ethyl]-6-pyridin-1-ium-1-yl-hexanamide bromide Formula: C20H27BrN2O3 MolecularWeight: 423.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3.BrH/c23-16-18(20(25)17-10-4-1-5-11-17)21-19(24)12-6-2-7-13-22-14-8-3-9-15-22;/h1,3-5,8-11,14-15,18,20,23,25H,2,6-7,12-13,16H2;1H/t18-,20-;/m0./s1