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

Systemtic Name: 2-[4-[[1-(1-cyclopropylimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-(1-cyclopropylimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-(1-cyclopropyl-2-imidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-(1-cyclopropylimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-(1-cyclopropylimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C30H29N4O2+ MolecularWeight: 477.57686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC=CN5C6CC6

Isomeric SMILES

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC=CN5C6CC6

InChI

InChI=1S/C30H28N4O2/c1-2-7-28-32-26-10-5-6-11-27(26)34(28,30-31-18-19-33(30)23-16-17-23)20-21-12-14-22(15-13-21)24-8-3-4-9-25(24)29(35)36/h3-6,8-15,18-19,23H,2,7,16-17,20H2,1H3/p+1