2-(4-methoxyphenyl)-4-methyl-6-(piperidin-1-ium-1-ylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-(4-methoxyphenyl)-4-methyl-6-(piperidin-1-ium-1-ylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-(4-methoxyphenyl)-4-methyl-6-(piperidin-1-ium-1-ylmethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 2-(4-methoxyphenyl)-4-methyl-6-(1-piperidin-1-iumylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-(4-methoxyphenyl)-4-methyl-6-(piperidin-1-ium-1-ylmethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 2-(4-methoxyphenyl)-4-methyl-6-(piperidin-1-ium-1-ylmethylthio)pyrimidine-5-carbonitrile Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)OC)SC[NH+]3CCCCC3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)OC)SC[NH+]3CCCCC3)C#N

InChI

InChI=1S/C19H22N4OS/c1-14-17(12-20)19(25-13-23-10-4-3-5-11-23)22-18(21-14)15-6-8-16(24-2)9-7-15/h6-9H,3-5,10-11,13H2,1-2H3/p+1