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

Systemtic Name: 1-(2-azanyl-3-heptyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride Openeye Name: 1-(2-amino-3-heptyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride CAS Name: 1-(2-amino-3-heptyl-1-benzimidazol-1-iumyl)-3-phenoxy-2-propanol chloride IUPAC Name: 1-(2-amino-3-heptylbenzimidazol-1-ium-1-yl)-3-phenoxypropan-2-ol chloride Traditional Name: 1-(2-amino-3-heptyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride Formula: C23H32ClN3O2 MolecularWeight: 417.97208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C23H31N3O2.ClH/c1-2-3-4-5-11-16-25-21-14-9-10-15-22(21)26(23(25)24)17-19(27)18-28-20-12-7-6-8-13-20;/h6-10,12-15,19,24,27H,2-5,11,16-18H2,1H3;1H