6-(4-chlorophenyl)-4-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-4-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-chlorophenyl)-4-oxo-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-chlorophenyl)-4-oxo-2-[2-(1-piperidin-1-iumyl)ethylthio]-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-chlorophenyl)-4-oxo-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-chlorophenyl)-4-keto-2-(2-piperidin-1-ium-1-ylethylthio)-1H-pyrimidine-5-carbonitrile Formula: C18H20ClN4OS+ MolecularWeight: 375.8956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C18H19ClN4OS/c19-14-6-4-13(5-7-14)16-15(12-20)17(24)22-18(21-16)25-11-10-23-8-2-1-3-9-23/h4-7H,1-3,8-11H2,(H,21,22,24)/p+1