2-[3-[(2-bromophenyl)methyl]-3-methyl-2-(3-methylphenyl)benzimidazol-3-ium-5-yl]oxy-N,N-dimethyl-ethanamine

Systemtic Name: 2-[3-[(2-bromophenyl)methyl]-3-methyl-2-(3-methylphenyl)benzimidazol-3-ium-5-yl]oxy-N,N-dimethyl-ethanamine Openeye Name: 2-[3-[(2-bromophenyl)methyl]-3-methyl-2-(m-tolyl)benzimidazol-3-ium-5-yl]oxy-N,N-dimethyl-ethanamine CAS Name: 2-[[3-[(2-bromophenyl)methyl]-3-methyl-2-(3-methylphenyl)-5-benzimidazol-3-iumyl]oxy]-N,N-dimethylethanamine IUPAC Name: 2-[3-[(2-bromophenyl)methyl]-3-methyl-2-(3-methylphenyl)benzimidazol-3-ium-5-yl]oxy-N,N-dimethylethanamine Traditional Name: 2-[3-(2-bromobenzyl)-3-methyl-2-(m-tolyl)benzimidazol-3-ium-5-yl]oxyethyl-dimethyl-amine Formula: C26H29BrN3O+ MolecularWeight: 479.43196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C([N+]2(C)CC4=CC=CC=C4Br)C=C(C=C3)OCCN(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C([N+]2(C)CC4=CC=CC=C4Br)C=C(C=C3)OCCN(C)C

InChI

InChI=1S/C26H29BrN3O/c1-19-8-7-10-20(16-19)26-28-24-13-12-22(31-15-14-29(2)3)17-25(24)30(26,4)18-21-9-5-6-11-23(21)27/h5-13,16-17H,14-15,18H2,1-4H3/q+1