2,5,8-trimethyl-2-[(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)carbonyl]-3,4-dihydrochromen-6-olate

Systemtic Name: 2,5,8-trimethyl-2-[(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)carbonyl]-3,4-dihydrochromen-6-olate Openeye Name: 2,5,8-trimethyl-2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-carbonyl)chroman-6-olate CAS Name: 2,5,8-trimethyl-2-[(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)-oxomethyl]-3,4-dihydro-2H-1-benzopyran-6-olate IUPAC Name: 2,5,8-trimethyl-2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-carbonyl)-3,4-dihydrochromen-6-olate Traditional Name: 2,5,8-trimethyl-2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-carbonyl)chroman-6-olate Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1OC(CC2)(C)C(=O)N3C=[N+](C(=N3)C)C4=CC=CC=C4)C)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1OC(CC2)(C)C(=O)N3C=[N+](C(=N3)C)C4=CC=CC=C4)C)[O-]

InChI

InChI=1S/C22H23N3O3/c1-14-12-19(26)15(2)18-10-11-22(4,28-20(14)18)21(27)25-13-24(16(3)23-25)17-8-6-5-7-9-17/h5-9,12-13H,10-11H2,1-4H3