[7-ethoxy-6,6-dimethyl-1-(4-methylphenyl)sulfonyl-7-oxidanylidene-heptyl]-methylidyne-azanium

Systemtic Name: [7-ethoxy-6,6-dimethyl-1-(4-methylphenyl)sulfonyl-7-oxidanylidene-heptyl]-methylidyne-azanium Openeye Name: [7-ethoxy-6,6-dimethyl-7-oxo-1-(p-tolylsulfonyl)heptyl]-methylidyne-ammonium CAS Name: [7-ethoxy-6,6-dimethyl-1-(4-methylphenyl)sulfonyl-7-oxoheptyl]-methylidyneammonium IUPAC Name: [7-ethoxy-6,6-dimethyl-1-(4-methylphenyl)sulfonyl-7-oxoheptyl]-methylidyneazanium Traditional Name: (7-ethoxy-7-keto-6,6-dimethyl-1-tosyl-heptyl)-methylidyne-ammonium Formula: C19H28NO4S+ MolecularWeight: 366.49492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCC([N+]#C)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCC([N+]#C)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C19H28NO4S/c1-6-24-18(21)19(3,4)14-8-7-9-17(20-5)25(22,23)16-12-10-15(2)11-13-16/h5,10-13,17H,6-9,14H2,1-4H3/q+1