3-(2-methoxyphenoxy)-2-methyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(2-methoxyphenoxy)-2-methyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(2-methoxyphenoxy)-2-methyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(2-methoxyphenoxy)-2-methyl-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-methoxyphenoxy)-2-methyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 4-keto-3-(2-methoxyphenoxy)-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCC3)OC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCC3)OC4=CC=CC=C4OC

InChI

InChI=1S/C23H25NO5/c1-15-22(29-20-9-5-4-8-19(20)27-2)21(26)16-10-11-18(25)17(23(16)28-15)14-24-12-6-3-7-13-24/h4-5,8-11,25H,3,6-7,12-14H2,1-2H3