methyl (E)-3-[1,3-bis[(4-bromophenyl)methyl]benzimidazol-3-ium-2-yl]-2-methyl-3-phenylazanyl-prop-2-enoate

Systemtic Name: methyl (E)-3-[1,3-bis[(4-bromophenyl)methyl]benzimidazol-3-ium-2-yl]-2-methyl-3-phenylazanyl-prop-2-enoate Openeye Name: methyl (E)-3-anilino-3-[1,3-bis[(4-bromophenyl)methyl]benzimidazol-3-ium-2-yl]-2-methyl-prop-2-enoate CAS Name: (E)-3-anilino-3-[1,3-bis[(4-bromophenyl)methyl]-2-benzimidazol-3-iumyl]-2-methyl-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-anilino-3-[1,3-bis[(4-bromophenyl)methyl]benzimidazol-3-ium-2-yl]-2-methylprop-2-enoate Traditional Name: (E)-3-anilino-3-[1,3-bis(4-bromobenzyl)benzimidazol-3-ium-2-yl]-2-methyl-acrylic acid methyl ester Formula: C32H28Br2N3O2+ MolecularWeight: 646.39162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=[N+](C2=CC=CC=C2N1CC3=CC=C(C=C3)Br)CC4=CC=C(C=C4)Br)NC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

C/C(=C(/C1=[N+](C2=CC=CC=C2N1CC3=CC=C(C=C3)Br)CC4=CC=C(C=C4)Br)\NC5=CC=CC=C5)/C(=O)OC

InChI

InChI=1S/C32H27Br2N3O2/c1-22(32(38)39-2)30(35-27-8-4-3-5-9-27)31-36(20-23-12-16-25(33)17-13-23)28-10-6-7-11-29(28)37(31)21-24-14-18-26(34)19-15-24/h3-19H,20-21H2,1-2H3/p+1