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

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

CC1CCCC[NH+]1CC2=C3C(=C(C=C2[O-])OC)C(=O)C=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC1CCCC[NH+]1CC2=C3C(=C(C=C2[O-])OC)C(=O)C=C(O3)C4=CC=CC=C4

InChI

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