3-(3-butoxy-4-methoxy-phenyl)-2,4-dimethyl-1H-1,2,4-triazol-4-ium-5-one

Systemtic Name: 3-(3-butoxy-4-methoxy-phenyl)-2,4-dimethyl-1H-1,2,4-triazol-4-ium-5-one Openeye Name: 3-(3-butoxy-4-methoxy-phenyl)-2,4-dimethyl-1H-1,2,4-triazol-4-ium-5-one CAS Name: 3-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl-1H-1,2,4-triazol-4-ium-5-one IUPAC Name: 3-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl-1H-1,2,4-triazol-4-ium-5-one Traditional Name: 3-(3-butoxy-4-methoxy-phenyl)-2,4-dimethyl-1H-1,2,4-triazol-4-ium-5-one Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C2=[N+](C(=O)NN2C)C)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C2=[N+](C(=O)NN2C)C)OC

InChI

InChI=1S/C15H21N3O3/c1-5-6-9-21-13-10-11(7-8-12(13)20-4)14-17(2)15(19)16-18(14)3/h7-8,10H,5-6,9H2,1-4H3/p+1