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

Systemtic Name: 2-[4-[[2-butyl-1-(2-oxidanylidenepyrrolidin-1-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(2-oxopyrrolidin-1-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-(2-oxo-1-pyrrolidinyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-(2-oxopyrrolidin-1-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(2-ketopyrrolidino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C29H30N3O3+ MolecularWeight: 468.5668

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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)N5CCCC5=O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N5CCCC5=O

InChI

InChI=1S/C29H29N3O3/c1-2-3-13-27-30-25-11-6-7-12-26(25)32(27,31-19-8-14-28(31)33)20-21-15-17-22(18-16-21)23-9-4-5-10-24(23)29(34)35/h4-7,9-12,15-18H,2-3,8,13-14,19-20H2,1H3/p+1