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

Systemtic Name: 2,5,8-trimethyl-2-[2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanoyl]-3,4-dihydrochromen-6-olate Openeye Name: 2,5,8-trimethyl-2-[2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)acetyl]chroman-6-olate CAS Name: 2,5,8-trimethyl-2-[2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)-1-oxoethyl]-3,4-dihydro-2H-1-benzopyran-6-olate IUPAC Name: 2,5,8-trimethyl-2-[2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)acetyl]-3,4-dihydrochromen-6-olate Traditional Name: 2,5,8-trimethyl-2-[2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)acetyl]chroman-6-olate Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1OC(CC2)(C)C(=O)CN3C=[N+](C(=N3)C)C4=CC=CC=C4)C)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1OC(CC2)(C)C(=O)CN3C=[N+](C(=N3)C)C4=CC=CC=C4)C)[O-]

InChI

InChI=1S/C23H25N3O3/c1-15-12-20(27)16(2)19-10-11-23(4,29-22(15)19)21(28)13-25-14-26(17(3)24-25)18-8-6-5-7-9-18/h5-9,12,14H,10-11,13H2,1-4H3