methyl-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium

Systemtic Name: methyl-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: methyl-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-piperidyl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: methyl-[(3S)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidinyl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium Traditional Name: methyl-[(3S)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]-3-piperidyl]-[2-(2-pyridyl)ethyl]ammonium Formula: C19H28N5S+ MolecularWeight: 358.52412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)CC3=CN=C(N=C3)SC

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C19H27N5S/c1-23(11-8-17-6-3-4-9-20-17)18-7-5-10-24(15-18)14-16-12-21-19(25-2)22-13-16/h3-4,6,9,12-13,18H,5,7-8,10-11,14-15H2,1-2H3/p+1/t18-/m0/s1