2-[4-[[4-(1-hexylbenzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[4-(1-hexylbenzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(1-hexylbenzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(1-hexyl-2-benzimidazolyl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(1-hexylbenzimidazol-2-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(1-hexylbenzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C38H41N4O2+ MolecularWeight: 585.75774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1C3=C4C(=CC=C3)[N+](C(=N4)CCC)(C)CC5=CC=C(C=C5)C6=CC=CC=C6C(=O)O

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1C3=C4C(=CC=C3)[N+](C(=N4)CCC)(C)CC5=CC=C(C=C5)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C38H40N4O2/c1-4-6-7-12-25-41-33-19-11-10-18-32(33)39-37(41)31-17-13-20-34-36(31)40-35(14-5-2)42(34,3)26-27-21-23-28(24-22-27)29-15-8-9-16-30(29)38(43)44/h8-11,13,15-24H,4-7,12,14,25-26H2,1-3H3/p+1