1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(2-thienyl)butane-1,4-dione Formula: C25H27N2O2S+ MolecularWeight: 419.55908

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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=CS4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C25H26N2O2S/c28-22(23-12-7-19-30-23)13-14-24(29)26-15-17-27(18-16-26)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,19,25H,13-18H2/p+1