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

Systemtic Name: 5-(3-butoxy-4-methoxy-phenyl)-1,4-dimethyl-1,2,4-triazol-4-ium-3-olate Openeye Name: 5-(3-butoxy-4-methoxy-phenyl)-1,4-dimethyl-1,2,4-triazol-4-ium-3-olate CAS Name: 5-(3-butoxy-4-methoxyphenyl)-1,4-dimethyl-1,2,4-triazol-4-ium-3-olate IUPAC Name: 5-(3-butoxy-4-methoxyphenyl)-1,4-dimethyl-1,2,4-triazol-4-ium-3-olate Traditional Name: 5-(3-butoxy-4-methoxy-phenyl)-1,4-dimethyl-1,2,4-triazol-4-ium-3-olate Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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