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

Systemtic Name: 2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-3-phenyl-chromen-7-olate Openeye Name: 2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-3-phenyl-chromen-7-olate CAS Name: 2-methyl-8-(4-morpholin-4-iumylmethyl)-4-oxo-3-phenyl-1-benzopyran-7-olate IUPAC Name: 2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-3-phenylchromen-7-olate Traditional Name: 4-keto-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-3-phenyl-chromen-7-olate Formula: C21H21NO4 MolecularWeight: 351.39574

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-14-19(15-5-3-2-4-6-15)20(24)16-7-8-18(23)17(21(16)26-14)13-22-9-11-25-12-10-22/h2-8,23H,9-13H2,1H3