5-[1-(4-ethoxy-3-methoxy-phenyl)carbonyl-3,4-dihydro-2H-quinolin-6-yl]-4,4,6-trimethyl-1,3,4-thiadiazinan-4-ium-2-one

Systemtic Name: 5-[1-(4-ethoxy-3-methoxy-phenyl)carbonyl-3,4-dihydro-2H-quinolin-6-yl]-4,4,6-trimethyl-1,3,4-thiadiazinan-4-ium-2-one Openeye Name: 5-[1-(4-ethoxy-3-methoxy-benzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4,4,6-trimethyl-1,3,4-thiadiazinan-4-ium-2-one CAS Name: 5-[1-[(4-ethoxy-3-methoxyphenyl)-oxomethyl]-3,4-dihydro-2H-quinolin-6-yl]-4,4,6-trimethyl-1,3,4-thiadiazinan-4-ium-2-one IUPAC Name: 5-[1-(4-ethoxy-3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4,4,6-trimethyl-1,3,4-thiadiazinan-4-ium-2-one Traditional Name: 5-[1-(4-ethoxy-3-methoxy-benzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4,4,6-trimethyl-1,3,4-thiadiazinan-4-ium-2-one Formula: C25H32N3O4S+ MolecularWeight: 470.60428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCCC3=C2C=CC(=C3)C4C(SC(=O)N[N+]4(C)C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCCC3=C2C=CC(=C3)C4C(SC(=O)N[N+]4(C)C)C)OC

InChI

InChI=1S/C25H31N3O4S/c1-6-32-21-12-10-19(15-22(21)31-5)24(29)27-13-7-8-17-14-18(9-11-20(17)27)23-16(2)33-25(30)26-28(23,3)4/h9-12,14-16,23H,6-8,13H2,1-5H3/p+1