(1,1-dimethyl-7-oxidanyl-3-pyrimidin-2-ylsulfanyl-3,4-dihydro-2H-naphthalen-2-yl)azanium

Systemtic Name: (1,1-dimethyl-7-oxidanyl-3-pyrimidin-2-ylsulfanyl-3,4-dihydro-2H-naphthalen-2-yl)azanium Openeye Name: (7-hydroxy-1,1-dimethyl-3-pyrimidin-2-ylsulfanyl-tetralin-2-yl)ammonium CAS Name: [7-hydroxy-1,1-dimethyl-3-(2-pyrimidinylthio)-3,4-dihydro-2H-naphthalen-2-yl]ammonium IUPAC Name: (7-hydroxy-1,1-dimethyl-3-pyrimidin-2-ylsulfanyl-3,4-dihydro-2H-naphthalen-2-yl)azanium Traditional Name: [7-hydroxy-1,1-dimethyl-3-(2-pyrimidylthio)tetralin-2-yl]ammonium Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(CC2=C1C=C(C=C2)O)SC3=NC=CC=N3)[NH3+])C

Isomeric SMILES

CC1(C(C(CC2=C1C=C(C=C2)O)SC3=NC=CC=N3)[NH3+])C

InChI

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