N-(1-oxidanyl-3-phenyl-propan-2-yl)-9-pyridin-1-ium-1-yl-nonanamide bromide

Systemtic Name: N-(1-oxidanyl-3-phenyl-propan-2-yl)-9-pyridin-1-ium-1-yl-nonanamide bromide Openeye Name: N-(1-benzyl-2-hydroxy-ethyl)-9-pyridin-1-ium-1-yl-nonanamide bromide CAS Name: N-(1-hydroxy-3-phenylpropan-2-yl)-9-(1-pyridin-1-iumyl)nonanamide bromide IUPAC Name: N-(1-hydroxy-3-phenylpropan-2-yl)-9-pyridin-1-ium-1-ylnonanamide bromide Traditional Name: N-(1-benzyl-2-hydroxy-ethyl)-9-pyridin-1-ium-1-yl-pelargonamide bromide Formula: C23H33BrN2O2 MolecularWeight: 449.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2.BrH/c26-20-22(19-21-13-7-5-8-14-21)24-23(27)15-9-3-1-2-4-10-16-25-17-11-6-12-18-25;/h5-8,11-14,17-18,22,26H,1-4,9-10,15-16,19-20H2;1H