dimethyl-[[7-oxidanyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromen-8-yl]methyl]azanium

Systemtic Name: dimethyl-[[7-oxidanyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromen-8-yl]methyl]azanium Openeye Name: [7-hydroxy-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [7-hydroxy-4-oxo-3-(1-phenyl-4-pyrazolyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [7-hydroxy-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [7-hydroxy-4-keto-3-(1-phenylpyrazol-4-yl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C21H20N3O3+ MolecularWeight: 362.4018

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC=C(C2=O)C3=CN(N=C3)C4=CC=CC=C4)O

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1OC=C(C2=O)C3=CN(N=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C21H19N3O3/c1-23(2)12-17-19(25)9-8-16-20(26)18(13-27-21(16)17)14-10-22-24(11-14)15-6-4-3-5-7-15/h3-11,13,25H,12H2,1-2H3/p+1