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

Systemtic Name: propan-2-yl N-(2-methyl-1-thianthren-5-ium-5-yl-butan-2-yl)ethanimidate Openeye Name: isopropyl N-[1-methyl-1-(thianthren-5-ium-5-ylmethyl)propyl]ethanimidate CAS Name: N-[2-methyl-1-(5-thianthren-5-iumyl)butan-2-yl]ethanimidic acid propan-2-yl ester IUPAC Name: propan-2-yl N-(2-methyl-1-thianthren-5-ium-5-ylbutan-2-yl)ethanimidate Traditional Name: N-[1-methyl-1-(thianthren-5-ium-5-ylmethyl)propyl]acetimidic acid isopropyl ester Formula: C22H28NOS2+ MolecularWeight: 386.59382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C[S+]1C2=CC=CC=C2SC3=CC=CC=C31)N=C(C)OC(C)C

Isomeric SMILES

CCC(C)(C[S+]1C2=CC=CC=C2SC3=CC=CC=C31)N=C(C)OC(C)C

InChI

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