butyl N-(2-methyl-1-thianthren-5-ium-5-yl-propan-2-yl)ethanimidate

Systemtic Name: butyl N-(2-methyl-1-thianthren-5-ium-5-yl-propan-2-yl)ethanimidate Openeye Name: butyl N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-ethyl)ethanimidate CAS Name: N-[2-methyl-1-(5-thianthren-5-iumyl)propan-2-yl]ethanimidic acid butyl ester IUPAC Name: butyl N-(2-methyl-1-thianthren-5-ium-5-ylpropan-2-yl)ethanimidate Traditional Name: N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-ethyl)acetimidic acid butyl ester Formula: C22H28NOS2+ MolecularWeight: 386.59382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=NC(C)(C)C[S+]1C2=CC=CC=C2SC3=CC=CC=C31)C

Isomeric SMILES

CCCCOC(=NC(C)(C)C[S+]1C2=CC=CC=C2SC3=CC=CC=C31)C

InChI

InChI=1S/C22H28NOS2/c1-5-6-15-24-17(2)23-22(3,4)16-26-20-13-9-7-11-18(20)25-19-12-8-10-14-21(19)26/h7-14H,5-6,15-16H2,1-4H3/q+1