2-[4-[[2-butyl-1-(5-oxidanylpentylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-1-(5-oxidanylpentylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(5-hydroxypentylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-[[(5-hydroxypentylamino)-oxomethyl]amino]-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-(5-hydroxypentylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(5-hydroxypentylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C31H37N4O4+ MolecularWeight: 529.64988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N4O4/c1-2-3-15-29-33-27-13-7-8-14-28(27)35(29,34-31(39)32-20-9-4-10-21-36)22-23-16-18-24(19-17-23)25-11-5-6-12-26(25)30(37)38/h5-8,11-14,16-19,36H,2-4,9-10,15,20-22H2,1H3,(H2-,32,34,37,38,39)/p+1