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

Systemtic Name: 2-[4-[[2-butyl-1-(4-methylpiperidin-1-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(4-methyl-1-piperidyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-(4-methyl-1-piperidinyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-(4-methylpiperidin-1-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(4-methylpiperidino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C31H36N3O2+ MolecularWeight: 482.63644

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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)N5CCC(CC5)C

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N5CCC(CC5)C

InChI

InChI=1S/C31H35N3O2/c1-3-4-13-30-32-28-11-7-8-12-29(28)34(30,33-20-18-23(2)19-21-33)22-24-14-16-25(17-15-24)26-9-5-6-10-27(26)31(35)36/h5-12,14-17,23H,3-4,13,18-22H2,1-2H3/p+1