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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-phenyl-butane-1,4-dione Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-phenyl-butane-1,4-dione CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-phenylbutane-1,4-dione IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-phenylbutane-1,4-dione Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-phenyl-butane-1,4-dione Formula: C27H29N2O2+ MolecularWeight: 413.53136

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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)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2/c30-25(22-10-4-1-5-11-22)16-17-26(31)28-18-20-29(21-19-28)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,27H,16-21H2/p+1