2-oxidanylidene-7-phenyl-4-(piperidin-1-ium-1-ylmethyl)chromen-6-olate

Systemtic Name: 2-oxidanylidene-7-phenyl-4-(piperidin-1-ium-1-ylmethyl)chromen-6-olate Openeye Name: 2-oxo-7-phenyl-4-(piperidin-1-ium-1-ylmethyl)chromen-6-olate CAS Name: 2-oxo-7-phenyl-4-(1-piperidin-1-iumylmethyl)-1-benzopyran-6-olate IUPAC Name: 2-oxo-7-phenyl-4-(piperidin-1-ium-1-ylmethyl)chromen-6-olate Traditional Name: 2-keto-7-phenyl-4-(piperidin-1-ium-1-ylmethyl)chromen-6-olate Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4

InChI

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