N-[4-[2-[(4-bromophenyl)amino]-1-methyl-benzimidazol-5-yl]oxypyridin-2-yl]-4-methyl-1-propyl-piperazin-1-ium-1-carboxamide

Systemtic Name: N-[4-[2-[(4-bromophenyl)amino]-1-methyl-benzimidazol-5-yl]oxypyridin-2-yl]-4-methyl-1-propyl-piperazin-1-ium-1-carboxamide Openeye Name: N-[4-[2-(4-bromoanilino)-1-methyl-benzimidazol-5-yl]oxy-2-pyridyl]-4-methyl-1-propyl-piperazin-1-ium-1-carboxamide CAS Name: N-[4-[[2-(4-bromoanilino)-1-methyl-5-benzimidazolyl]oxy]-2-pyridinyl]-4-methyl-1-propyl-1-piperazin-1-iumcarboxamide IUPAC Name: N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxypyridin-2-yl]-4-methyl-1-propylpiperazin-1-ium-1-carboxamide Traditional Name: N-[4-[2-(4-bromoanilino)-1-methyl-benzimidazol-5-yl]oxy-2-pyridyl]-4-methyl-1-propyl-piperazin-1-ium-1-carboxamide Formula: C28H33BrN7O2+ MolecularWeight: 579.51132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCN(CC1)C)C(=O)NC2=NC=CC(=C2)OC3=CC4=C(C=C3)N(C(=N4)NC5=CC=C(C=C5)Br)C

Isomeric SMILES

CCC[N+]1(CCN(CC1)C)C(=O)NC2=NC=CC(=C2)OC3=CC4=C(C=C3)N(C(=N4)NC5=CC=C(C=C5)Br)C

InChI

InChI=1S/C28H32BrN7O2/c1-4-15-36(16-13-34(2)14-17-36)28(37)33-26-19-23(11-12-30-26)38-22-9-10-25-24(18-22)32-27(35(25)3)31-21-7-5-20(29)6-8-21/h5-12,18-19H,4,13-17H2,1-3H3,(H-,30,31,32,33,37)/p+1