1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-(4-phenylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-(4-phenylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-(4-phenyl-1-piperazinyl)butane-1,4-dione IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(4-phenylpiperazino)butane-1,4-dione Formula: C31H37N4O2+ MolecularWeight: 497.65108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H36N4O2/c36-29(33-20-18-32(19-21-33)28-14-8-3-9-15-28)16-17-30(37)34-22-24-35(25-23-34)31(26-10-4-1-5-11-26)27-12-6-2-7-13-27/h1-15,31H,16-25H2/p+1