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

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-ium-2-amine Openeye Name: 1-[(4-bromophenyl)methyl]-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-ium-2-amine CAS Name: 1-[(4-bromophenyl)methyl]-3-[2-(4-methylphenoxy)ethyl]-2-benzimidazol-1-iumamine IUPAC Name: 1-[(4-bromophenyl)methyl]-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-ium-2-amine Traditional Name: [1-(4-bromobenzyl)-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-ium-2-yl]amine Formula: C23H23BrN3O+ MolecularWeight: 437.35222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H22BrN3O/c1-17-6-12-20(13-7-17)28-15-14-26-21-4-2-3-5-22(21)27(23(26)25)16-18-8-10-19(24)11-9-18/h2-13,25H,14-16H2,1H3/p+1