6-chloranyl-2-oxidanylidene-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 6-chloranyl-2-oxidanylidene-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 6-chloro-2-oxo-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 6-chloro-2-oxo-4-phenyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 6-chloro-2-oxo-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 6-chloro-2-keto-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C3C(=CC(=C2[O-])Cl)C(=CC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=C3C(=CC(=C2[O-])Cl)C(=CC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClNO3/c22-18-11-16-15(14-7-3-1-4-8-14)12-19(24)26-21(16)17(20(18)25)13-23-9-5-2-6-10-23/h1,3-4,7-8,11-12,25H,2,5-6,9-10,13H2