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

Systemtic Name: 1-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride Openeye Name: 1-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride CAS Name: 1-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-3-phenoxy-2-propanol chloride IUPAC Name: 1-(2-amino-3-butylbenzimidazol-1-ium-1-yl)-3-phenoxypropan-2-ol chloride Traditional Name: 1-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride Formula: C20H26ClN3O2 MolecularWeight: 375.89234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC=C3)O.[Cl-]

InChI

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