4-[(2-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate

Systemtic Name: 4-[(2-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[(2-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[(2-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[(2-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 2-keto-4-[(2-methylpiperidin-1-ium-1-yl)methyl]-7-phenyl-chromen-6-olate Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1CCCC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4

InChI

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