[(S)-(3,4-dimethoxyphenyl)-(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: [(S)-(3,4-dimethoxyphenyl)-(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [(S)-(3,4-dimethoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [(S)-(3,4-dimethoxyphenyl)-(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(S)-(3,4-dimethoxyphenyl)-(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [(S)-(3,4-dimethoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ammonium Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(C2=CC(=C(C=C2)OC)OC)[NH3+]

Isomeric SMILES

CN1C=C(C=N1)[C@H](C2=CC(=C(C=C2)OC)OC)[NH3+]

InChI

InChI=1S/C13H17N3O2/c1-16-8-10(7-15-16)13(14)9-4-5-11(17-2)12(6-9)18-3/h4-8,13H,14H2,1-3H3/p+1/t13-/m0/s1