[3-(1-adamantyl)-4-methoxy-phenyl]-dimethyl-sulfanylcarbonyl-azanium

Systemtic Name: [3-(1-adamantyl)-4-methoxy-phenyl]-dimethyl-sulfanylcarbonyl-azanium Openeye Name: [3-(1-adamantyl)-4-methoxy-phenyl]-dimethyl-sulfanylcarbonyl-ammonium CAS Name: [3-(1-adamantyl)-4-methoxyphenyl]-[mercapto(oxo)methyl]-dimethylammonium IUPAC Name: [3-(1-adamantyl)-4-methoxyphenyl]-dimethyl-sulfanylcarbonylazanium Traditional Name: [3-(1-adamantyl)-4-methoxy-phenyl]-dimethyl-thiocarboxy-ammonium Formula: C20H28NO2S+ MolecularWeight: 346.50682

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC(=C(C=C1)OC)C23CC4CC(C2)CC(C4)C3)C(=O)S

Isomeric SMILES

C[N+](C)(C1=CC(=C(C=C1)OC)C23CC4CC(C2)CC(C4)C3)C(=O)S

InChI

InChI=1S/C20H27NO2S/c1-21(2,19(22)24)16-4-5-18(23-3)17(9-16)20-10-13-6-14(11-20)8-15(7-13)12-20/h4-5,9,13-15H,6-8,10-12H2,1-3H3/p+1