[2,4-bis(oxidanyl)phenyl]methyl-[(1,3-dimethylpyrazol-4-yl)methyl]azanium

Systemtic Name: [2,4-bis(oxidanyl)phenyl]methyl-[(1,3-dimethylpyrazol-4-yl)methyl]azanium Openeye Name: (2,4-dihydroxyphenyl)methyl-[(1,3-dimethylpyrazol-4-yl)methyl]ammonium CAS Name: (2,4-dihydroxyphenyl)methyl-[(1,3-dimethyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (2,4-dihydroxyphenyl)methyl-[(1,3-dimethylpyrazol-4-yl)methyl]azanium Traditional Name: (2,4-dihydroxybenzyl)-[(1,3-dimethylpyrazol-4-yl)methyl]ammonium Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH2+]CC2=C(C=C(C=C2)O)O)C

Isomeric SMILES

CC1=NN(C=C1C[NH2+]CC2=C(C=C(C=C2)O)O)C

InChI

InChI=1S/C13H17N3O2/c1-9-11(8-16(2)15-9)7-14-6-10-3-4-12(17)5-13(10)18/h3-5,8,14,17-18H,6-7H2,1-2H3/p+1