(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl-dithiocarboxy-diethyl-azanium

Systemtic Name: (3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl-dithiocarboxy-diethyl-azanium Openeye Name: (3-tert-butyl-4-hydroxy-5-methyl-phenyl)methyl-dithiocarboxy-diethyl-ammonium CAS Name: (3-tert-butyl-4-hydroxy-5-methylphenyl)methyl-dithiocarboxy-diethylammonium IUPAC Name: (3-tert-butyl-4-hydroxy-5-methylphenyl)methyl-dithiocarboxy-diethylazanium Traditional Name: (3-tert-butyl-4-hydroxy-5-methyl-benzyl)-dithiocarboxy-diethyl-ammonium Formula: C17H28NOS2+ MolecularWeight: 326.54032

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C)C(=S)S

Isomeric SMILES

CC[N+](CC)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C)C(=S)S

InChI

InChI=1S/C17H27NOS2/c1-7-18(8-2,16(20)21)11-13-9-12(3)15(19)14(10-13)17(4,5)6/h9-10H,7-8,11H2,1-6H3,(H-,19,20,21)/p+1