[3-[(3-azaniumyl-4,4-dimethyl-6-oxidanyl-2,3-dihydro-1H-naphthalen-2-yl)sulfanyl]phenyl]azanium

Systemtic Name: [3-[(3-azaniumyl-4,4-dimethyl-6-oxidanyl-2,3-dihydro-1H-naphthalen-2-yl)sulfanyl]phenyl]azanium Openeye Name: [3-(3-azaniumyl-6-hydroxy-4,4-dimethyl-tetralin-2-yl)sulfanylphenyl]ammonium CAS Name: [3-[(3-ammonio-6-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)thio]phenyl]ammonium IUPAC Name: [3-[(3-azaniumyl-6-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)sulfanyl]phenyl]azanium Traditional Name: [3-[(3-ammonio-6-hydroxy-4,4-dimethyl-tetralin-2-yl)thio]phenyl]ammonium Formula: C18H24N2OS+2 MolecularWeight: 316.46096

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(CC2=C1C=C(C=C2)O)SC3=CC=CC(=C3)[NH3+])[NH3+])C

Isomeric SMILES

CC1(C(C(CC2=C1C=C(C=C2)O)SC3=CC=CC(=C3)[NH3+])[NH3+])C

InChI

InChI=1S/C18H22N2OS/c1-18(2)15-10-13(21)7-6-11(15)8-16(17(18)20)22-14-5-3-4-12(19)9-14/h3-7,9-10,16-17,21H,8,19-20H2,1-2H3/p+2