1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-[(4-methyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-methylpyrimidin-2-yl)thio]ethanone Formula: C24H27N4OS+ MolecularWeight: 419.56238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4OS/c1-19-12-13-25-24(26-19)30-18-22(29)27-14-16-28(17-15-27)23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,23H,14-18H2,1H3/p+1