2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)-1-(2,5,8-trimethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)ethanone

Systemtic Name: 2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)-1-(2,5,8-trimethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)ethanone Openeye Name: 1-(6-hydroxy-2,5,8-trimethyl-chroman-2-yl)-2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanone CAS Name: 1-(6-hydroxy-2,5,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)-2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanone IUPAC Name: 1-(6-hydroxy-2,5,8-trimethyl-3,4-dihydrochromen-2-yl)-2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanone Traditional Name: 1-(6-hydroxy-2,5,8-trimethyl-chroman-2-yl)-2-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanone Formula: C23H26N3O3+ MolecularWeight: 392.47084

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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/p+1