O1-(3,3-dimethylbutyl) O4-[[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl] butanedioate

Systemtic Name: O1-(3,3-dimethylbutyl) O4-[[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl] butanedioate Openeye Name: O1-(3,3-dimethylbutyl) O4-[[4-(4-oxo-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl] butanedioate CAS Name: butanedioic acid O1-(3,3-dimethylbutyl) ester O4-[[4-(4-oxo-8-phenyl-1-benzopyran-2-yl)-4-morpholin-4-iumyl]methyl] ester IUPAC Name: 1-O-(3,3-dimethylbutyl) 4-O-[[4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methyl] butanedioate Traditional Name: succinic acid O1-(3,3-dimethylbutyl) ester O4-[[4-(4-keto-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl] ester Formula: C30H36NO7+ MolecularWeight: 522.60934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36NO7/c1-30(2,3)14-17-36-27(33)12-13-28(34)37-21-31(15-18-35-19-16-31)26-20-25(32)24-11-7-10-23(29(24)38-26)22-8-5-4-6-9-22/h4-11,20H,12-19,21H2,1-3H3/q+1