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

Systemtic Name: propyl N-(2-methyl-3-thianthren-5-ium-5-yl-butan-2-yl)ethanimidate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C22H28NOS2+ MolecularWeight: 386.59382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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