butyl N-(2-methyl-3-thianthren-5-ium-5-yl-butan-2-yl)ethanimidate

Systemtic Name: butyl N-(2-methyl-3-thianthren-5-ium-5-yl-butan-2-yl)ethanimidate Openeye Name: butyl N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-propyl)ethanimidate CAS Name: N-[2-methyl-3-(5-thianthren-5-iumyl)butan-2-yl]ethanimidic acid butyl ester IUPAC Name: butyl N-(2-methyl-3-thianthren-5-ium-5-ylbutan-2-yl)ethanimidate Traditional Name: N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-propyl)acetimidic acid butyl ester Formula: C23H30NOS2+ MolecularWeight: 400.6204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30NOS2/c1-6-7-16-25-18(3)24-23(4,5)17(2)27-21-14-10-8-12-19(21)26-20-13-9-11-15-22(20)27/h8-15,17H,6-7,16H2,1-5H3/q+1