1-(2-azanyl-3-hexyl-benzimidazol-1-ium-1-yl)-3-(2-methoxyphenoxy)propan-2-ol chloride

Systemtic Name: 1-(2-azanyl-3-hexyl-benzimidazol-1-ium-1-yl)-3-(2-methoxyphenoxy)propan-2-ol chloride Openeye Name: 1-(2-amino-3-hexyl-benzimidazol-1-ium-1-yl)-3-(2-methoxyphenoxy)propan-2-ol chloride CAS Name: 1-(2-amino-3-hexyl-1-benzimidazol-1-iumyl)-3-(2-methoxyphenoxy)-2-propanol chloride IUPAC Name: 1-(2-amino-3-hexylbenzimidazol-1-ium-1-yl)-3-(2-methoxyphenoxy)propan-2-ol chloride Traditional Name: 1-(2-amino-3-hexyl-benzimidazol-1-ium-1-yl)-3-(2-methoxyphenoxy)propan-2-ol chloride Formula: C23H32ClN3O3 MolecularWeight: 433.97148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC=C3OC)O.[Cl-]

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC=C3OC)O.[Cl-]

InChI

InChI=1S/C23H31N3O3.ClH/c1-3-4-5-10-15-25-19-11-6-7-12-20(19)26(23(25)24)16-18(27)17-29-22-14-9-8-13-21(22)28-2;/h6-9,11-14,18,24,27H,3-5,10,15-17H2,1-2H3;1H