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

Systemtic Name: 1-(2-azanyl-3-hexyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride Openeye Name: 1-(2-amino-3-hexyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride CAS Name: 1-(2-amino-3-hexyl-1-benzimidazol-1-iumyl)-3-phenoxy-2-propanol chloride IUPAC Name: 1-(2-amino-3-hexylbenzimidazol-1-ium-1-yl)-3-phenoxypropan-2-ol chloride Traditional Name: 1-(2-amino-3-hexyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride Formula: C22H30ClN3O2 MolecularWeight: 403.9455

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C22H29N3O2.ClH/c1-2-3-4-10-15-24-20-13-8-9-14-21(20)25(22(24)23)16-18(26)17-27-19-11-6-5-7-12-19;/h5-9,11-14,18,23,26H,2-4,10,15-17H2,1H3;1H