1-(2-azanyl-3-pentyl-benzimidazol-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol chloride

Systemtic Name: 1-(2-azanyl-3-pentyl-benzimidazol-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol chloride Openeye Name: 1-(2-amino-3-pentyl-benzimidazol-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol chloride CAS Name: 1-(2-amino-3-pentyl-1-benzimidazol-1-iumyl)-3-(4-methylphenoxy)-2-propanol chloride IUPAC Name: 1-(2-amino-3-pentylbenzimidazol-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol chloride Traditional Name: 1-(2-amino-3-amyl-benzimidazol-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol chloride Formula: C22H30ClN3O2 MolecularWeight: 403.9455

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=C(C=C3)C)O.[Cl-]

Isomeric SMILES

CCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=C(C=C3)C)O.[Cl-]

InChI

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