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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)ethanone CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)ethanone Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)ethanone Formula: C27H28N3O+ MolecularWeight: 410.53072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CNC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CNC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O/c31-26(24-19-28-25-14-8-7-13-23(24)25)20-29-15-17-30(18-16-29)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,19,27-28H,15-18,20H2/p+1