dimethyl-[[2-methyl-4-oxidanyl-7-oxidanylidene-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium

Systemtic Name: dimethyl-[[2-methyl-4-oxidanyl-7-oxidanylidene-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Openeye Name: [4-hydroxy-2-methyl-7-oxo-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [4-hydroxy-2-methyl-7-oxo-3-(1-phenyl-4-pyrazolyl)-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [4-hydroxy-2-methyl-7-oxo-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [4-hydroxy-7-keto-2-methyl-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+](C)C)O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+](C)C)O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3/c1-14-20(15-11-23-25(12-15)16-7-5-4-6-8-16)21(27)17-9-10-19(26)18(13-24(2)3)22(17)28-14/h4-8,11-12,18,22,27H,9-10,13H2,1-3H3/p+1