2-[4-[[2-butyl-1-(3-cyclohexylpropylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-1-(3-cyclohexylpropylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(3-cyclohexylpropylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-(3-cyclohexylpropylamino)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-(3-cyclohexylpropylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(3-cyclohexylpropylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C34H42N3O2+ MolecularWeight: 524.71618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)NCCCC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)NCCCC5CCCCC5

InChI

InChI=1S/C34H41N3O2/c1-2-3-19-33-36-31-17-9-10-18-32(31)37(33,35-24-11-14-26-12-5-4-6-13-26)25-27-20-22-28(23-21-27)29-15-7-8-16-30(29)34(38)39/h7-10,15-18,20-23,26,35H,2-6,11-14,19,24-25H2,1H3/p+1