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

Systemtic Name: 2-oxidanylidene-7-phenyl-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-6-olate Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 2-oxo-7-phenyl-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-6-olate IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-keto-7-phenyl-chromen-6-olate Formula: C28H27NO3 MolecularWeight: 425.51888

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC(=O)OC4=CC(=C(C=C34)[O-])C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC(=O)OC4=CC(=C(C=C34)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H27NO3/c30-26-17-25-23(16-28(31)32-27(25)18-24(26)22-9-5-2-6-10-22)19-29-13-11-21(12-14-29)15-20-7-3-1-4-8-20/h1-10,16-18,21,30H,11-15,19H2