1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone CAS Name: 1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone Formula: C29H32N3O+ MolecularWeight: 438.58388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O/c1-21-13-14-25-26(19-21)30-22(2)28(25)27(33)20-31-15-17-32(18-16-31)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19,29-30H,15-18,20H2,1-2H3/p+1