N-(1-oxidanyl-3-phenyl-propan-2-yl)-17-pyridin-1-ium-1-yl-heptadecanamide bromide

Systemtic Name: N-(1-oxidanyl-3-phenyl-propan-2-yl)-17-pyridin-1-ium-1-yl-heptadecanamide bromide Openeye Name: N-(1-benzyl-2-hydroxy-ethyl)-17-pyridin-1-ium-1-yl-heptadecanamide bromide CAS Name: N-(1-hydroxy-3-phenylpropan-2-yl)-17-(1-pyridin-1-iumyl)heptadecanamide bromide IUPAC Name: N-(1-hydroxy-3-phenylpropan-2-yl)-17-pyridin-1-ium-1-ylheptadecanamide bromide Traditional Name: N-(1-benzyl-2-hydroxy-ethyl)-17-pyridin-1-ium-1-yl-heptadecanamide bromide Formula: C31H49BrN2O2 MolecularWeight: 561.63696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48N2O2.BrH/c34-28-30(27-29-21-15-13-16-22-29)32-31(35)23-17-11-9-7-5-3-1-2-4-6-8-10-12-18-24-33-25-19-14-20-26-33;/h13-16,19-22,25-26,30,34H,1-12,17-18,23-24,27-28H2;1H