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

Systemtic Name: 2-[4-[[2-butyl-1-(3,3-dimethylpiperidin-1-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(3,3-dimethyl-1-piperidyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-(3,3-dimethyl-1-piperidinyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-(3,3-dimethylpiperidin-1-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(3,3-dimethylpiperidino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C32H38N3O2+ MolecularWeight: 496.66302

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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)N5CCCC(C5)(C)C

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N5CCCC(C5)(C)C

InChI

InChI=1S/C32H37N3O2/c1-4-5-15-30-33-28-13-8-9-14-29(28)35(30,34-21-10-20-32(2,3)23-34)22-24-16-18-25(19-17-24)26-11-6-7-12-27(26)31(36)37/h6-9,11-14,16-19H,4-5,10,15,20-23H2,1-3H3/p+1