[1,1-diethyl-7-oxidanyl-3-(phenylsulfonylmethylsulfanyl)-3,4-dihydro-2H-naphthalen-2-yl]azanium

Systemtic Name: [1,1-diethyl-7-oxidanyl-3-(phenylsulfonylmethylsulfanyl)-3,4-dihydro-2H-naphthalen-2-yl]azanium Openeye Name: [3-(benzenesulfonylmethylsulfanyl)-1,1-diethyl-7-hydroxy-tetralin-2-yl]ammonium CAS Name: [3-(benzenesulfonylmethylthio)-1,1-diethyl-7-hydroxy-3,4-dihydro-2H-naphthalen-2-yl]ammonium IUPAC Name: [3-(benzenesulfonylmethylsulfanyl)-1,1-diethyl-7-hydroxy-3,4-dihydro-2H-naphthalen-2-yl]azanium Traditional Name: [3-(besylmethylthio)-1,1-diethyl-7-hydroxy-tetralin-2-yl]ammonium Formula: C21H28NO3S2+ MolecularWeight: 406.58192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CC2=C1C=C(C=C2)O)SCS(=O)(=O)C3=CC=CC=C3)[NH3+])CC

Isomeric SMILES

CCC1(C(C(CC2=C1C=C(C=C2)O)SCS(=O)(=O)C3=CC=CC=C3)[NH3+])CC

InChI

InChI=1S/C21H27NO3S2/c1-3-21(4-2)18-13-16(23)11-10-15(18)12-19(20(21)22)26-14-27(24,25)17-8-6-5-7-9-17/h5-11,13,19-20,23H,3-4,12,14,22H2,1-2H3/p+1