[4-[6-ethoxy-3-(4-methylsulfonylphenyl)-2-oxidanylidene-pyran-4-yl]phenyl]-trimethyl-azanium

Systemtic Name: [4-[6-ethoxy-3-(4-methylsulfonylphenyl)-2-oxidanylidene-pyran-4-yl]phenyl]-trimethyl-azanium Openeye Name: [4-[6-ethoxy-3-(4-methylsulfonylphenyl)-2-oxo-pyran-4-yl]phenyl]-trimethyl-ammonium CAS Name: [4-[6-ethoxy-3-(4-methylsulfonylphenyl)-2-oxo-4-pyranyl]phenyl]-trimethylammonium IUPAC Name: [4-[6-ethoxy-3-(4-methylsulfonylphenyl)-2-oxopyran-4-yl]phenyl]-trimethylazanium Traditional Name: [4-[6-ethoxy-2-keto-3-(4-mesylphenyl)pyran-4-yl]phenyl]-trimethyl-ammonium Formula: C23H26NO5S+ MolecularWeight: 428.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=O)O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)[N+](C)(C)C

Isomeric SMILES

CCOC1=CC(=C(C(=O)O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)[N+](C)(C)C

InChI

InChI=1S/C23H26NO5S/c1-6-28-21-15-20(16-7-11-18(12-8-16)24(2,3)4)22(23(25)29-21)17-9-13-19(14-10-17)30(5,26)27/h7-15H,6H2,1-5H3/q+1