4-phenyl-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimidine

Systemtic Name: 4-phenyl-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimidine Openeye Name: 4-phenyl-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimidine CAS Name: 4-phenyl-6-[2-(1-piperidin-1-iumyl)ethylthio]pyrimidine IUPAC Name: 4-phenyl-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimidine Traditional Name: 4-phenyl-6-(2-piperidin-1-ium-1-ylethylthio)pyrimidine Formula: C17H22N3S+ MolecularWeight: 300.44168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3S/c1-3-7-15(8-4-1)16-13-17(19-14-18-16)21-12-11-20-9-5-2-6-10-20/h1,3-4,7-8,13-14H,2,5-6,9-12H2/p+1