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

Systemtic Name: N-[(1S,2S)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-6-pyridin-1-ium-1-yl-hexanamide Openeye Name: N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-phenyl-ethyl]-6-pyridin-1-ium-1-yl-hexanamide CAS Name: N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-(1-pyridin-1-iumyl)hexanamide IUPAC Name: N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-pyridin-1-ium-1-ylhexanamide Traditional Name: N-[(1S,2S)-2-hydroxy-1-methylol-2-phenyl-ethyl]-6-pyridin-1-ium-1-yl-hexanamide Formula: C20H27N2O3+ MolecularWeight: 343.43998

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/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/p+1/t18-,20-/m0/s1