1-[(4-bromophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]benzimidazol-1-ium-2-amine

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]benzimidazol-1-ium-2-amine Openeye Name: 1-[(4-bromophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]benzimidazol-1-ium-2-amine CAS Name: 1-[(4-bromophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-benzimidazol-1-iumamine IUPAC Name: 1-[(4-bromophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]benzimidazol-1-ium-2-amine Traditional Name: [1-(4-bromobenzyl)-3-[2-(4-methoxyphenoxy)ethyl]benzimidazol-1-ium-2-yl]amine Formula: C23H23BrN3O2+ MolecularWeight: 453.35162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)OCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H22BrN3O2/c1-28-19-10-12-20(13-11-19)29-15-14-26-21-4-2-3-5-22(21)27(23(26)25)16-17-6-8-18(24)9-7-17/h2-13,25H,14-16H2,1H3/p+1