1-butyl-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine chloride

Systemtic Name: 1-butyl-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine chloride Openeye Name: 1-butyl-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine chloride CAS Name: 1-butyl-3-(2-phenoxyethyl)-2-benzimidazol-1-iumamine chloride IUPAC Name: 1-butyl-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine chloride Traditional Name: [1-butyl-3-(2-phenoxyethyl)benzimidazol-1-ium-2-yl]amine chloride Formula: C19H24ClN3O MolecularWeight: 345.86636

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3)N.[Cl-]

Isomeric SMILES

CCCC[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3)N.[Cl-]

InChI

InChI=1S/C19H23N3O.ClH/c1-2-3-13-21-17-11-7-8-12-18(17)22(19(21)20)14-15-23-16-9-5-4-6-10-16;/h4-12,20H,2-3,13-15H2,1H3;1H