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

Systemtic Name: cyclohexyl N-(2-methyl-1-thianthren-5-ium-5-yl-propan-2-yl)ethanimidate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C24H30NOS2+ MolecularWeight: 412.6311

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC(C)(C)C[S+]1C2=CC=CC=C2SC3=CC=CC=C31)OC4CCCCC4

Isomeric SMILES

CC(=NC(C)(C)C[S+]1C2=CC=CC=C2SC3=CC=CC=C31)OC4CCCCC4

InChI

InChI=1S/C24H30NOS2/c1-18(26-19-11-5-4-6-12-19)25-24(2,3)17-28-22-15-9-7-13-20(22)27-21-14-8-10-16-23(21)28/h7-10,13-16,19H,4-6,11-12,17H2,1-3H3/q+1