O1-methyl O4-[[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl] butanedioate

Systemtic Name: O1-methyl O4-[[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl] butanedioate Openeye Name: O1-methyl O4-[[4-(4-oxo-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl] butanedioate CAS Name: butanedioic acid O1-methyl ester O4-[[4-(4-oxo-8-phenyl-1-benzopyran-2-yl)-4-morpholin-4-iumyl]methyl] ester IUPAC Name: 1-O-methyl 4-O-[[4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methyl] butanedioate Traditional Name: succinic acid O4-[[4-(4-keto-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl] ester O1-methyl ester Formula: C25H26NO7+ MolecularWeight: 452.47644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)OC[N+]1(CCOCC1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCC(=O)OC[N+]1(CCOCC1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26NO7/c1-30-23(28)10-11-24(29)32-17-26(12-14-31-15-13-26)22-16-21(27)20-9-5-8-19(25(20)33-22)18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3/q+1