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

Systemtic Name: 8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-3-phenyl-chromen-7-olate Openeye Name: 8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-3-phenyl-chromen-7-olate CAS Name: 8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-3-phenyl-1-benzopyran-7-olate IUPAC Name: 8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-3-phenylchromen-7-olate Traditional Name: 4-keto-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-3-phenyl-chromen-7-olate Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H23NO3/c1-15-6-5-11-23(12-15)13-18-20(24)10-9-17-21(25)19(14-26-22(17)18)16-7-3-2-4-8-16/h2-4,7-10,14-15,24H,5-6,11-13H2,1H3