5-methyl-4-[(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]-2-(pyridin-3-ylmethylsulfanyl)pyrimidine

Systemtic Name: 5-methyl-4-[(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]-2-(pyridin-3-ylmethylsulfanyl)pyrimidine Openeye Name: 5-methyl-2-(3-pyridylmethylsulfanyl)-4-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]pyrimidine CAS Name: 5-methyl-4-[(3S)-1-(4-oxanyl)-3-piperidin-1-iumyl]-2-(3-pyridinylmethylthio)pyrimidine IUPAC Name: 5-methyl-4-[(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]-2-(pyridin-3-ylmethylsulfanyl)pyrimidine Traditional Name: 5-methyl-2-(3-pyridylmethylthio)-4-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]pyrimidine Formula: C21H29N4OS+ MolecularWeight: 385.54616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCC[NH+](C2)C3CCOCC3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCC[NH+](C2)C3CCOCC3)SCC4=CN=CC=C4

InChI

InChI=1S/C21H28N4OS/c1-16-12-23-21(27-15-17-4-2-8-22-13-17)24-20(16)18-5-3-9-25(14-18)19-6-10-26-11-7-19/h2,4,8,12-13,18-19H,3,5-7,9-11,14-15H2,1H3/p+1/t18-/m0/s1