2-[2-azanyl-3-[(2-methylphenyl)methyl]benzimidazol-3-ium-1-yl]ethanol chloride

Systemtic Name: 2-[2-azanyl-3-[(2-methylphenyl)methyl]benzimidazol-3-ium-1-yl]ethanol chloride Openeye Name: 2-[2-amino-3-(o-tolylmethyl)benzimidazol-3-ium-1-yl]ethanol chloride CAS Name: 2-[2-amino-3-[(2-methylphenyl)methyl]-1-benzimidazol-3-iumyl]ethanol chloride IUPAC Name: 2-[2-amino-3-[(2-methylphenyl)methyl]benzimidazol-3-ium-1-yl]ethanol chloride Traditional Name: 2-[2-amino-3-(2-methylbenzyl)benzimidazol-3-ium-1-yl]ethanol chloride Formula: C17H20ClN3O MolecularWeight: 317.8132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[N+]2=C(N(C3=CC=CC=C32)CCO)N.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1C[N+]2=C(N(C3=CC=CC=C32)CCO)N.[Cl-]

InChI

InChI=1S/C17H19N3O.ClH/c1-13-6-2-3-7-14(13)12-20-16-9-5-4-8-15(16)19(10-11-21)17(20)18;/h2-9,18,21H,10-12H2,1H3;1H