2-[3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1-ethyl-2-oxidanylidene-benzimidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1-ethyl-2-oxidanylidene-benzimidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-ethyl-2-oxo-benzimidazol-1-ium-1-yl]acetic acid CAS Name: 2-[3-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1-ethyl-2-oxo-1-benzimidazol-1-iumyl]acetic acid IUPAC Name: 2-[3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-ethyl-2-oxobenzimidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[3-[3-(4-benzhydrylpiperazino)propyl]-1-ethyl-2-keto-benzimidazol-1-ium-1-yl]acetic acid Formula: C31H37N4O3+ MolecularWeight: 513.65048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=CC=CC=C2N(C1=O)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)O

Isomeric SMILES

CC[N+]1(C2=CC=CC=C2N(C1=O)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)O

InChI

InChI=1S/C31H36N4O3/c1-2-35(24-29(36)37)28-17-10-9-16-27(28)34(31(35)38)19-11-18-32-20-22-33(23-21-32)30(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-10,12-17,30H,2,11,18-24H2,1H3/p+1