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

Systemtic Name: 1-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride Openeye Name: 1-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride CAS Name: 1-(2-amino-3-propyl-1-benzimidazol-1-iumyl)-3-(3-methylphenoxy)-2-propanol chloride IUPAC Name: 1-(2-amino-3-propylbenzimidazol-1-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride Traditional Name: 1-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride Formula: C20H26ClN3O2 MolecularWeight: 375.89234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC(=C3)C)O.[Cl-]

Isomeric SMILES

CCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC(=C3)C)O.[Cl-]

InChI

InChI=1S/C20H25N3O2.ClH/c1-3-11-22-18-9-4-5-10-19(18)23(20(22)21)13-16(24)14-25-17-8-6-7-15(2)12-17;/h4-10,12,16,21,24H,3,11,13-14H2,1-2H3;1H