N-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-17-pyridin-1-ium-1-yl-heptadecanamide

Systemtic Name: N-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-17-pyridin-1-ium-1-yl-heptadecanamide Openeye Name: N-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-17-pyridin-1-ium-1-yl-heptadecanamide CAS Name: N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-17-(1-pyridin-1-iumyl)heptadecanamide IUPAC Name: N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-17-pyridin-1-ium-1-ylheptadecanamide Traditional Name: N-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-17-pyridin-1-ium-1-yl-heptadecanamide Formula: C31H49N2O2+ MolecularWeight: 481.73296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)NC(=O)CCCCCCCCCCCCCCCC[N+]2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C31H48N2O2/c1-28(31(35)29-22-16-14-17-23-29)32-30(34)24-18-12-10-8-6-4-2-3-5-7-9-11-13-19-25-33-26-20-15-21-27-33/h14-17,20-23,26-28,31,35H,2-13,18-19,24-25H2,1H3/p+1/t28-,31-/m1/s1