2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-ethoxyphenyl)ethanol chloride

Systemtic Name: 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-ethoxyphenyl)ethanol chloride Openeye Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-ethoxyphenyl)ethanol chloride CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-1-(4-ethoxyphenyl)ethanol chloride IUPAC Name: 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)-1-(4-ethoxyphenyl)ethanol chloride Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-p-phenetyl-ethanol chloride Formula: C21H28ClN3O2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2.ClH/c1-3-5-14-23-18-8-6-7-9-19(18)24(21(23)22)15-20(25)16-10-12-17(13-11-16)26-4-2;/h6-13,20,22,25H,3-5,14-15H2,1-2H3;1H