N-[(3-oxidanylpyridin-1-ium-1-yl)methyl]undec-10-enamide chloride

Systemtic Name: N-[(3-oxidanylpyridin-1-ium-1-yl)methyl]undec-10-enamide chloride Openeye Name: N-[(3-hydroxypyridin-1-ium-1-yl)methyl]undec-10-enamide chloride CAS Name: N-[(3-hydroxy-1-pyridin-1-iumyl)methyl]-10-undecenamide chloride IUPAC Name: N-[(3-hydroxypyridin-1-ium-1-yl)methyl]undec-10-enamide chloride Traditional Name: N-[(3-hydroxypyridin-1-ium-1-yl)methyl]undec-10-enamide chloride Formula: C17H27ClN2O2 MolecularWeight: 326.86148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCCCC(=O)NC[N+]1=CC=CC(=C1)O.[Cl-]

Isomeric SMILES

C=CCCCCCCCCC(=O)NC[N+]1=CC=CC(=C1)O.[Cl-]

InChI

InChI=1S/C17H26N2O2.ClH/c1-2-3-4-5-6-7-8-9-12-17(21)18-15-19-13-10-11-16(20)14-19;/h2,10-11,13-14H,1,3-9,12,15H2,(H-,18,20,21);1H