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

Systemtic Name: (1,1-dimethyl-7-oxidanyl-3-pyridin-2-ylsulfanyl-3,4-dihydro-2H-naphthalen-2-yl)azanium Openeye Name: [7-hydroxy-1,1-dimethyl-3-(2-pyridylsulfanyl)tetralin-2-yl]ammonium CAS Name: [7-hydroxy-1,1-dimethyl-3-(2-pyridinylthio)-3,4-dihydro-2H-naphthalen-2-yl]ammonium IUPAC Name: (7-hydroxy-1,1-dimethyl-3-pyridin-2-ylsulfanyl-3,4-dihydro-2H-naphthalen-2-yl)azanium Traditional Name: [7-hydroxy-1,1-dimethyl-3-(2-pyridylthio)tetralin-2-yl]ammonium Formula: C17H21N2OS+ MolecularWeight: 301.42644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2OS/c1-17(2)13-10-12(20)7-6-11(13)9-14(16(17)18)21-15-5-3-4-8-19-15/h3-8,10,14,16,20H,9,18H2,1-2H3/p+1