5-[(1-ethylpyridin-1-ium-3-yl)methylamino]-2-methyl-phenol chloride

Systemtic Name: 5-[(1-ethylpyridin-1-ium-3-yl)methylamino]-2-methyl-phenol chloride Openeye Name: 5-[(1-ethylpyridin-1-ium-3-yl)methylamino]-2-methyl-phenol chloride CAS Name: 5-[(1-ethyl-3-pyridin-1-iumyl)methylamino]-2-methylphenol chloride IUPAC Name: 5-[(1-ethylpyridin-1-ium-3-yl)methylamino]-2-methylphenol chloride Traditional Name: 5-[(1-ethylpyridin-1-ium-3-yl)methylamino]-2-methyl-phenol chloride Formula: C15H19ClN2O MolecularWeight: 278.77716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)CNC2=CC(=C(C=C2)C)O.[Cl-]

Isomeric SMILES

CC[N+]1=CC=CC(=C1)CNC2=CC(=C(C=C2)C)O.[Cl-]

InChI

InChI=1S/C15H18N2O.ClH/c1-3-17-8-4-5-13(11-17)10-16-14-7-6-12(2)15(18)9-14;/h4-9,11,16H,3,10H2,1-2H3;1H