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

Systemtic Name: 2-[4-[(2-butyl-1-piperidin-1-yl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(1-piperidyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-(1-piperidinyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-1-piperidin-1-ylbenzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-1-piperidino-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Formula: C30H34N3O2+ MolecularWeight: 468.60986

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)N5CCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O2/c1-2-3-15-29-31-27-13-7-8-14-28(27)33(29,32-20-9-4-10-21-32)22-23-16-18-24(19-17-23)25-11-5-6-12-26(25)30(34)35/h5-8,11-14,16-19H,2-4,9-10,15,20-22H2,1H3/p+1