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

Systemtic Name: 2-[4-[[2-butyl-1-(2-oxidanylidenepiperidin-1-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(2-oxo-1-piperidyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-(2-oxo-1-piperidinyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-(2-oxopiperidin-1-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(2-ketopiperidino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C30H32N3O3+ MolecularWeight: 482.59338

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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)N5CCCCC5=O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N5CCCCC5=O

InChI

InChI=1S/C30H31N3O3/c1-2-3-14-28-31-26-12-6-7-13-27(26)33(28,32-20-9-8-15-29(32)34)21-22-16-18-23(19-17-22)24-10-4-5-11-25(24)30(35)36/h4-7,10-13,16-19H,2-3,8-9,14-15,20-21H2,1H3/p+1