2-[4-[[4-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate chloride

Systemtic Name: 2-[4-[[4-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate chloride Openeye Name: 2-[4-[[4-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate chloride CAS Name: 2-[4-[[4-(1-methyl-2-benzimidazolyl)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate chloride IUPAC Name: 2-[4-[[4-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate chloride Traditional Name: 2-[4-[[4-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate chloride Formula: C32H28ClN4O2- MolecularWeight: 536.04332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[NH+]1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C5=NC6=CC=CC=C6N5C.[Cl-]

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[NH+]1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C5=NC6=CC=CC=C6N5C.[Cl-]

InChI

InChI=1S/C32H28N4O2.ClH/c1-3-9-29-34-30-25(31-33-26-13-6-7-14-27(26)35(31)2)12-8-15-28(30)36(29)20-21-16-18-22(19-17-21)23-10-4-5-11-24(23)32(37)38;/h4-8,10-19H,3,9,20H2,1-2H3,(H,37,38);1H/p-1