2-methyl-4-phenyl-6-piperidin-1-ium-4-ylsulfanyl-pyrimidine

Systemtic Name: 2-methyl-4-phenyl-6-piperidin-1-ium-4-ylsulfanyl-pyrimidine Openeye Name: 2-methyl-4-phenyl-6-piperidin-1-ium-4-ylsulfanyl-pyrimidine CAS Name: 2-methyl-4-phenyl-6-(4-piperidin-1-iumylthio)pyrimidine IUPAC Name: 2-methyl-4-phenyl-6-piperidin-1-ium-4-ylsulfanylpyrimidine Traditional Name: 2-methyl-4-phenyl-6-(piperidin-1-ium-4-ylthio)pyrimidine Formula: C16H20N3S+ MolecularWeight: 286.4151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SC2CC[NH2+]CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC(=N1)SC2CC[NH2+]CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H19N3S/c1-12-18-15(13-5-3-2-4-6-13)11-16(19-12)20-14-7-9-17-10-8-14/h2-6,11,14,17H,7-10H2,1H3/p+1