dimethyl-[[8-methyl-7-oxidanyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromen-6-yl]methyl]azanium

Systemtic Name: dimethyl-[[8-methyl-7-oxidanyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromen-6-yl]methyl]azanium Openeye Name: [7-hydroxy-8-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-6-yl]methyl-dimethyl-ammonium CAS Name: [7-hydroxy-8-methyl-4-oxo-3-(1-phenyl-4-pyrazolyl)-1-benzopyran-6-yl]methyl-dimethylammonium IUPAC Name: [7-hydroxy-8-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-6-yl]methyl-dimethylazanium Traditional Name: [7-hydroxy-4-keto-8-methyl-3-(1-phenylpyrazol-4-yl)chromen-6-yl]methyl-dimethyl-ammonium Formula: C22H22N3O3+ MolecularWeight: 376.42838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)C[NH+](C)C)C(=O)C(=CO2)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1O)C[NH+](C)C)C(=O)C(=CO2)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3/c1-14-20(26)15(11-24(2)3)9-18-21(27)19(13-28-22(14)18)16-10-23-25(12-16)17-7-5-4-6-8-17/h4-10,12-13,26H,11H2,1-3H3/p+1