2-oxidanylidene-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-6-olate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C=C(C=C4)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C=C(C=C4)[O-]

InChI

InChI=1S/C22H23NO3/c24-19-6-7-21-20(14-19)18(13-22(25)26-21)15-23-10-8-17(9-11-23)12-16-4-2-1-3-5-16/h1-7,13-14,17,24H,8-12,15H2