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

Systemtic Name: 2-[4-[[4-(1-cyclopropylbenzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(1-cyclopropylbenzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(1-cyclopropyl-2-benzimidazolyl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(1-cyclopropylbenzimidazol-2-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(1-cyclopropylbenzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C35H33N4O2+ MolecularWeight: 541.66212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6N5C7CC7

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6N5C7CC7

InChI

InChI=1S/C35H32N4O2/c1-3-9-32-37-33-28(34-36-29-13-6-7-14-30(29)38(34)25-20-21-25)12-8-15-31(33)39(32,2)22-23-16-18-24(19-17-23)26-10-4-5-11-27(26)35(40)41/h4-8,10-19,25H,3,9,20-22H2,1-2H3/p+1