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

Systemtic Name: O4-[[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl] O1-(phenylmethyl) butanedioate Openeye Name: O1-benzyl O4-[[4-(4-oxo-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl] butanedioate CAS Name: butanedioic acid O4-[[4-(4-oxo-8-phenyl-1-benzopyran-2-yl)-4-morpholin-4-iumyl]methyl] ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-[[4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methyl] butanedioate Traditional Name: succinic acid O1-benzyl ester O4-[[4-(4-keto-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl] ester Formula: C31H30NO7+ MolecularWeight: 528.5724

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(COC(=O)CCC(=O)OCC2=CC=CC=C2)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCC[N+]1(COC(=O)CCC(=O)OCC2=CC=CC=C2)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30NO7/c33-27-20-28(39-31-25(12-7-13-26(27)31)24-10-5-2-6-11-24)32(16-18-36-19-17-32)22-38-30(35)15-14-29(34)37-21-23-8-3-1-4-9-23/h1-13,20H,14-19,21-22H2/q+1