(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-chloro-2-methylsulfanyl-pyrimidin-4-yl)methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-chloro-2-methylsulfanylpyrimidin-4-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[5-chloro-2-(methylthio)pyrimidin-4-yl]methanone Formula: C23H24ClN4OS+ MolecularWeight: 439.98086

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H23ClN4OS/c1-30-23-25-16-19(24)20(26-23)22(29)28-14-12-27(13-15-28)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,21H,12-15H2,1H3/p+1