(1,1-dimethyl-7-oxidanyl-3-pyrimidin-2-yl-2-sulfanyl-3,4-dihydronaphthalen-2-yl)azanium chloride

Systemtic Name: (1,1-dimethyl-7-oxidanyl-3-pyrimidin-2-yl-2-sulfanyl-3,4-dihydronaphthalen-2-yl)azanium chloride Openeye Name: (7-hydroxy-1,1-dimethyl-3-pyrimidin-2-yl-2-sulfanyl-tetralin-2-yl)ammonium chloride CAS Name: [7-hydroxy-2-mercapto-1,1-dimethyl-3-(2-pyrimidinyl)-3,4-dihydronaphthalen-2-yl]ammonium chloride IUPAC Name: (7-hydroxy-1,1-dimethyl-3-pyrimidin-2-yl-2-sulfanyl-3,4-dihydronaphthalen-2-yl)azanium chloride Traditional Name: [7-hydroxy-2-mercapto-1,1-dimethyl-3-(2-pyrimidyl)tetralin-2-yl]ammonium chloride Formula: C16H20ClN3OS MolecularWeight: 337.8675

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(CC(C1([NH3+])S)C3=NC=CC=N3)C=CC(=C2)O)C.[Cl-]

Isomeric SMILES

CC1(C2=C(CC(C1([NH3+])S)C3=NC=CC=N3)C=CC(=C2)O)C.[Cl-]

InChI

InChI=1S/C16H19N3OS.ClH/c1-15(2)12-9-11(20)5-4-10(12)8-13(16(15,17)21)14-18-6-3-7-19-14;/h3-7,9,13,20-21H,8,17H2,1-2H3;1H