(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(morpholin-4-ium-4-ylmethyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

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