4-(3,3-dimethylbut-1-ynyl)-5-methoxy-2-methyl-2-[(3-methylphenyl)methyl]-1,2,4-triazol-2-ium-3-one

Systemtic Name: 4-(3,3-dimethylbut-1-ynyl)-5-methoxy-2-methyl-2-[(3-methylphenyl)methyl]-1,2,4-triazol-2-ium-3-one Openeye Name: 4-(3,3-dimethylbut-1-ynyl)-5-methoxy-2-methyl-2-(m-tolylmethyl)-1,2,4-triazol-2-ium-3-one CAS Name: 4-(3,3-dimethylbut-1-ynyl)-5-methoxy-2-methyl-2-[(3-methylphenyl)methyl]-1,2,4-triazol-2-ium-3-one IUPAC Name: 4-(3,3-dimethylbut-1-ynyl)-5-methoxy-2-methyl-2-[(3-methylphenyl)methyl]-1,2,4-triazol-2-ium-3-one Traditional Name: 4-(3,3-dimethylbut-1-ynyl)-5-methoxy-2-methyl-2-(3-methylbenzyl)-1,2,4-triazol-2-ium-3-one Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[N+]2(C(=O)N(C(=N2)OC)C#CC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)C[N+]2(C(=O)N(C(=N2)OC)C#CC(C)(C)C)C

InChI

InChI=1S/C18H24N3O2/c1-14-8-7-9-15(12-14)13-21(5)17(22)20(16(19-21)23-6)11-10-18(2,3)4/h7-9,12H,13H2,1-6H3/q+1