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

Systemtic Name: 1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine chloride Openeye Name: 1-(2-phenoxyethyl)-3-(p-tolylmethyl)benzimidazol-3-ium-2-amine chloride CAS Name: 1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)-2-benzimidazol-1-iumamine chloride IUPAC Name: 1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine chloride Traditional Name: [1-(4-methylbenzyl)-3-(2-phenoxyethyl)benzimidazol-1-ium-2-yl]amine chloride Formula: C23H24ClN3O MolecularWeight: 393.90916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCOC4=CC=CC=C4)N.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCOC4=CC=CC=C4)N.[Cl-]

InChI

InChI=1S/C23H23N3O.ClH/c1-18-11-13-19(14-12-18)17-26-22-10-6-5-9-21(22)25(23(26)24)15-16-27-20-7-3-2-4-8-20;/h2-14,24H,15-17H2,1H3;1H