3-(4-methoxyphenyl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-methoxyphenyl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-chromen-7-olate CAS Name: 3-(4-methoxyphenyl)-2-methyl-8-(4-morpholin-4-iumylmethyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxyphenyl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxochromen-7-olate Traditional Name: 4-keto-3-(4-methoxyphenyl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)chromen-7-olate Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCOCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCOCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H23NO5/c1-14-20(15-3-5-16(26-2)6-4-15)21(25)17-7-8-19(24)18(22(17)28-14)13-23-9-11-27-12-10-23/h3-8,24H,9-13H2,1-2H3