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

Systemtic Name: 1-(2-azanyl-3-pentyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride Openeye Name: 1-(2-amino-3-pentyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride CAS Name: 1-(2-amino-3-pentyl-1-benzimidazol-1-iumyl)-3-phenoxy-2-propanol chloride IUPAC Name: 1-(2-amino-3-pentylbenzimidazol-1-ium-1-yl)-3-phenoxypropan-2-ol chloride Traditional Name: 1-(2-amino-3-amyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride Formula: C21H28ClN3O2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2.ClH/c1-2-3-9-14-23-19-12-7-8-13-20(19)24(21(23)22)15-17(25)16-26-18-10-5-4-6-11-18;/h4-8,10-13,17,22,25H,2-3,9,14-16H2,1H3;1H