(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C24H26NO5+ MolecularWeight: 408.46694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4)C

InChI

InChI=1S/C24H25NO5/c1-16-11-21-20(13-23(26)30-22(21)12-17(16)2)15-29-24(27)19-5-3-18(4-6-19)14-25-7-9-28-10-8-25/h3-6,11-13H,7-10,14-15H2,1-2H3/p+1