4-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-2-methylsulfanyl-pyrimidine

Systemtic Name: 4-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-2-methylsulfanyl-pyrimidine Openeye Name: 4-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-2-methylsulfanyl-pyrimidine CAS Name: 4-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazin-4-iumyl]-2-(methylthio)pyrimidine IUPAC Name: 4-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-4-ium-1-yl]-2-methylsulfanylpyrimidine Traditional Name: 4-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-2-(methylthio)pyrimidine Formula: C22H24ClN4S+ MolecularWeight: 411.97076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4S/c1-28-22-24-12-11-20(25-22)26-13-15-27(16-14-26)21(17-5-3-2-4-6-17)18-7-9-19(23)10-8-18/h2-12,21H,13-16H2,1H3/p+1/t21-/m1/s1