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

Systemtic Name: 3-(3-methoxyphenoxy)-2-methyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(3-methoxyphenoxy)-2-methyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(3-methoxyphenoxy)-2-methyl-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(3-methoxyphenoxy)-2-methyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 4-keto-3-(3-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=C4)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCC3)OC4=CC(=CC=C4)OC

InChI

InChI=1S/C23H25NO5/c1-15-22(29-17-8-6-7-16(13-17)27-2)21(26)18-9-10-20(25)19(23(18)28-15)14-24-11-4-3-5-12-24/h6-10,13,25H,3-5,11-12,14H2,1-2H3