1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(2-methylindol-1-yl)ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(2-methylindol-1-yl)ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-methylindol-1-yl)ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(2-methyl-1-indolyl)ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-methylindol-1-yl)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-methylindol-1-yl)ethanone Formula: C28H30N3O+ MolecularWeight: 424.5573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O/c1-22-20-25-14-8-9-15-26(25)31(22)21-27(32)29-16-18-30(19-17-29)28(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,20,28H,16-19,21H2,1H3/p+1