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

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(4-methoxyphenyl)-2-methyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(4-methoxyphenyl)-2-methyl-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxyphenyl)-2-methyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 4-keto-3-(4-methoxyphenyl)-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C23H25NO4 MolecularWeight: 379.4489

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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)C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4/c1-15-21(16-6-8-17(27-2)9-7-16)22(26)18-10-11-20(25)19(23(18)28-15)14-24-12-4-3-5-13-24/h6-11,25H,3-5,12-14H2,1-2H3