N-(1-oxidanyl-3-phenyl-propan-2-yl)-5-pyridin-1-ium-1-yl-pentanamide bromide

Systemtic Name: N-(1-oxidanyl-3-phenyl-propan-2-yl)-5-pyridin-1-ium-1-yl-pentanamide bromide Openeye Name: N-(1-benzyl-2-hydroxy-ethyl)-5-pyridin-1-ium-1-yl-pentanamide bromide CAS Name: N-(1-hydroxy-3-phenylpropan-2-yl)-5-(1-pyridin-1-iumyl)pentanamide bromide IUPAC Name: N-(1-hydroxy-3-phenylpropan-2-yl)-5-pyridin-1-ium-1-ylpentanamide bromide Traditional Name: N-(1-benzyl-2-hydroxy-ethyl)-5-pyridin-1-ium-1-yl-valeramide bromide Formula: C19H25BrN2O2 MolecularWeight: 393.318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O2.BrH/c22-16-18(15-17-9-3-1-4-10-17)20-19(23)11-5-8-14-21-12-6-2-7-13-21;/h1-4,6-7,9-10,12-13,18,22H,5,8,11,14-16H2;1H