1-(2,3-dimethylindol-1-yl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)C(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)C(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

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