1-[(4-tert-butylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine chloride

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine chloride Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine chloride CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-phenoxyethyl)-2-benzimidazol-1-iumamine chloride IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine chloride Traditional Name: [1-(4-tert-butylbenzyl)-3-(2-phenoxyethyl)benzimidazol-1-ium-2-yl]amine chloride Formula: C26H30ClN3O MolecularWeight: 435.9889

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCOC4=CC=CC=C4)N.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCOC4=CC=CC=C4)N.[Cl-]

InChI

InChI=1S/C26H29N3O.ClH/c1-26(2,3)21-15-13-20(14-16-21)19-29-24-12-8-7-11-23(24)28(25(29)27)17-18-30-22-9-5-4-6-10-22;/h4-16,27H,17-19H2,1-3H3;1H