N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Openeye Name: N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine CAS Name: N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine IUPAC Name: N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Traditional Name: (3,5-dimethoxybenzyl)-(2-methyl-1H-pyrazol-2-ium-3-yl)amine Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CN1)NCC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

C[N+]1=C(C=CN1)NCC2=CC(=CC(=C2)OC)OC

InChI

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