1-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol chloride

Systemtic Name: 1-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol chloride Openeye Name: 1-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol chloride CAS Name: 1-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-3-(2-methylphenoxy)-2-propanol chloride IUPAC Name: 1-(2-amino-3-butylbenzimidazol-1-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol chloride Traditional Name: 1-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol chloride Formula: C21H28ClN3O2 MolecularWeight: 389.91892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC=C3C)O.[Cl-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC=C3C)O.[Cl-]

InChI

InChI=1S/C21H27N3O2.ClH/c1-3-4-13-23-18-10-6-7-11-19(18)24(21(23)22)14-17(25)15-26-20-12-8-5-9-16(20)2;/h5-12,17,22,25H,3-4,13-15H2,1-2H3;1H