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

Systemtic Name: 1-heptyl-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine chloride Openeye Name: 1-heptyl-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine chloride CAS Name: 1-heptyl-3-(2-phenoxyethyl)-2-benzimidazol-1-iumamine chloride IUPAC Name: 1-heptyl-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine chloride Traditional Name: [1-heptyl-3-(2-phenoxyethyl)benzimidazol-1-ium-2-yl]amine chloride Formula: C22H30ClN3O MolecularWeight: 387.9461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O.ClH/c1-2-3-4-5-11-16-24-20-14-9-10-15-21(20)25(22(24)23)17-18-26-19-12-7-6-8-13-19;/h6-10,12-15,23H,2-5,11,16-18H2,1H3;1H