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

Systemtic Name: 2-[3-[(2-bromophenyl)methyl]-2-(3,5-dimethylphenyl)-3-methyl-benzimidazol-3-ium-5-yl]oxy-N,N-dimethyl-ethanamine Openeye Name: 2-[3-[(2-bromophenyl)methyl]-2-(3,5-dimethylphenyl)-3-methyl-benzimidazol-3-ium-5-yl]oxy-N,N-dimethyl-ethanamine CAS Name: 2-[[3-[(2-bromophenyl)methyl]-2-(3,5-dimethylphenyl)-3-methyl-5-benzimidazol-3-iumyl]oxy]-N,N-dimethylethanamine IUPAC Name: 2-[3-[(2-bromophenyl)methyl]-2-(3,5-dimethylphenyl)-3-methylbenzimidazol-3-ium-5-yl]oxy-N,N-dimethylethanamine Traditional Name: 2-[3-(2-bromobenzyl)-2-(3,5-dimethylphenyl)-3-methyl-benzimidazol-3-ium-5-yl]oxyethyl-dimethyl-amine Formula: C27H31BrN3O+ MolecularWeight: 493.45854

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31BrN3O/c1-19-14-20(2)16-22(15-19)27-29-25-11-10-23(32-13-12-30(3)4)17-26(25)31(27,5)18-21-8-6-7-9-24(21)28/h6-11,14-17H,12-13,18H2,1-5H3/q+1