1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(5-ethanoyl-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(5-ethanoyl-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 2-(5-acetyl-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-1-(4-benzhydrylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(5-acetyl-2,6-dimethyl-4-pyrimidinyl)thio]-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-1-(4-benzhydrylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(5-acetyl-2,6-dimethyl-pyrimidin-4-yl)thio]-1-(4-benzhydrylpiperazin-4-ium-1-yl)ethanone Formula: C27H31N4O2S+ MolecularWeight: 475.62564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C27H30N4O2S/c1-19-25(20(2)32)27(29-21(3)28-19)34-18-24(33)30-14-16-31(17-15-30)26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,26H,14-18H2,1-3H3/p+1