4-chloranyl-2-methylsulfanyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 4-chloranyl-2-methylsulfanyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 4-chloro-6-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-methylsulfanyl-pyrimidine CAS Name: 4-chloro-2-(methylthio)-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 4-chloro-2-methylsulfanyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 4-chloro-6-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-(methylthio)pyrimidine Formula: C18H22ClN4S+ MolecularWeight: 361.91208

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)Cl)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4S/c1-24-18-20-16(19)14-17(21-18)23-12-10-22(11-13-23)9-5-8-15-6-3-2-4-7-15/h2-8,14H,9-13H2,1H3/p+1/b8-5+