3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(4-carbomethoxyphenoxy)-4-keto-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCC3)OC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCC3)OC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H23NO6/c1-14-21(30-16-7-5-15(6-8-16)23(27)28-2)20(26)17-9-10-19(25)18(22(17)29-14)13-24-11-3-4-12-24/h5-10,25H,3-4,11-13H2,1-2H3