1-phenyl-2-(pyridin-1-ium-3-ylmethylamino)propan-1-ol chloride

Systemtic Name: 1-phenyl-2-(pyridin-1-ium-3-ylmethylamino)propan-1-ol chloride Openeye Name: 1-phenyl-2-(pyridin-1-ium-3-ylmethylamino)propan-1-ol chloride CAS Name: 1-phenyl-2-(3-pyridin-1-iumylmethylamino)-1-propanol chloride IUPAC Name: 1-phenyl-2-(pyridin-1-ium-3-ylmethylamino)propan-1-ol chloride Traditional Name: 1-phenyl-2-(pyridin-1-ium-3-ylmethylamino)propan-1-ol chloride Formula: C15H19ClN2O MolecularWeight: 278.77716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)NCC2=C[NH+]=CC=C2.[Cl-]

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)NCC2=C[NH+]=CC=C2.[Cl-]

InChI

InChI=1S/C15H18N2O.ClH/c1-12(15(18)14-7-3-2-4-8-14)17-11-13-6-5-9-16-10-13;/h2-10,12,15,17-18H,11H2,1H3;1H