[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]-(thian-4-yl)azanium

Systemtic Name: [(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]-(thian-4-yl)azanium Openeye Name: [(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]-tetrahydrothiopyran-4-yl-ammonium CAS Name: [(1S)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]-(4-thianyl)ammonium IUPAC Name: [(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-(thian-4-yl)azanium Traditional Name: [(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]-tetrahydrothiopyran-4-yl-ammonium Formula: C17H23N4S+ MolecularWeight: 315.45632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]C2CCSCC2)C3=CC=NC=C3

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)[NH2+]C2CCSCC2)C3=CC=NC=C3

InChI

InChI=1S/C17H22N4S/c1-12(20-15-5-9-22-10-6-15)16-11-19-17(21-13(16)2)14-3-7-18-8-4-14/h3-4,7-8,11-12,15,20H,5-6,9-10H2,1-2H3/p+1/t12-/m0/s1