(6-chloranyl-7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: (6-chloranyl-7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methyl-(pyridin-3-ylmethyl)azanium Openeye Name: (6-chloro-7-hydroxy-2-oxo-4-phenyl-chromen-8-yl)methyl-(3-pyridylmethyl)ammonium CAS Name: (6-chloro-7-hydroxy-2-oxo-4-phenyl-1-benzopyran-8-yl)methyl-(3-pyridinylmethyl)ammonium IUPAC Name: (6-chloro-7-hydroxy-2-oxo-4-phenylchromen-8-yl)methyl-(pyridin-3-ylmethyl)azanium Traditional Name: (6-chloro-7-hydroxy-2-keto-4-phenyl-chromen-8-yl)methyl-(3-pyridylmethyl)ammonium Formula: C22H18ClN2O3+ MolecularWeight: 393.84292

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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/p+1