5-methoxy-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-2-phenyl-chromen-7-olate

Systemtic Name: 5-methoxy-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-2-phenyl-chromen-7-olate Openeye Name: 5-methoxy-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-phenyl-chromen-7-olate CAS Name: 5-methoxy-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-2-phenyl-1-benzopyran-7-olate IUPAC Name: 5-methoxy-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-phenylchromen-7-olate Traditional Name: 4-keto-5-methoxy-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-phenyl-chromen-7-olate Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C3C(=C(C=C2[O-])OC)C(=O)C=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C3C(=C(C=C2[O-])OC)C(=O)C=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C23H25NO4/c1-15-7-6-10-24(13-15)14-17-18(25)11-21(27-2)22-19(26)12-20(28-23(17)22)16-8-4-3-5-9-16/h3-5,8-9,11-12,15,25H,6-7,10,13-14H2,1-2H3