dimethyl-[[4-oxidanyl-7-oxidanylidene-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium

Systemtic Name: dimethyl-[[4-oxidanyl-7-oxidanylidene-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Openeye Name: [4-hydroxy-7-oxo-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [4-hydroxy-7-oxo-3-(1-phenyl-4-pyrazolyl)-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [4-hydroxy-7-oxo-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [4-hydroxy-7-keto-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1C2C(=C(C(=CO2)C3=CN(N=C3)C4=CC=CC=C4)O)CCC1=O

Isomeric SMILES

C[NH+](C)CC1C2C(=C(C(=CO2)C3=CN(N=C3)C4=CC=CC=C4)O)CCC1=O

InChI

InChI=1S/C21H23N3O3/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/h3-7,10-11,13,17,21,26H,8-9,12H2,1-2H3/p+1