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

Systemtic Name: (3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)-(2,5,8-trimethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)methanone Openeye Name: (6-hydroxy-2,5,8-trimethyl-chroman-2-yl)-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)methanone CAS Name: (6-hydroxy-2,5,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)methanone IUPAC Name: (6-hydroxy-2,5,8-trimethyl-3,4-dihydrochromen-2-yl)-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)methanone Traditional Name: (6-hydroxy-2,5,8-trimethyl-chroman-2-yl)-(3-methyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)methanone Formula: C22H24N3O3+ MolecularWeight: 378.44426

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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/p+1