6-chloranyl-2-oxidanylidene-4-phenyl-8-[(pyridin-3-ylmethylazaniumyl)methyl]chromen-7-olate

Systemtic Name: 6-chloranyl-2-oxidanylidene-4-phenyl-8-[(pyridin-3-ylmethylazaniumyl)methyl]chromen-7-olate Openeye Name: 6-chloro-2-oxo-4-phenyl-8-[(3-pyridylmethylammonio)methyl]chromen-7-olate CAS Name: 6-chloro-2-oxo-4-phenyl-8-[(3-pyridinylmethylammonio)methyl]-1-benzopyran-7-olate IUPAC Name: 6-chloro-2-oxo-4-phenyl-8-[(pyridin-3-ylmethylazaniumyl)methyl]chromen-7-olate Traditional Name: 6-chloro-2-keto-4-phenyl-8-[(3-pyridylmethylammonio)methyl]chromen-7-olate Formula: C22H17ClN2O3 MolecularWeight: 392.83498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)OC3=C(C(=C(C=C23)Cl)[O-])C[NH2+]CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)OC3=C(C(=C(C=C23)Cl)[O-])C[NH2+]CC4=CN=CC=C4

InChI

InChI=1S/C22H17ClN2O3/c23-19-9-17-16(15-6-2-1-3-7-15)10-20(26)28-22(17)18(21(19)27)13-25-12-14-5-4-8-24-11-14/h1-11,25,27H,12-13H2