4-oxidanylidene-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 4-oxidanylidene-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 4-oxo-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 4-oxo-3-phenyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 4-oxo-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 4-keto-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H21NO3/c23-19-10-9-16-20(24)18(15-7-3-1-4-8-15)14-25-21(16)17(19)13-22-11-5-2-6-12-22/h1,3-4,7-10,14,23H,2,5-6,11-13H2