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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

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