2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-amine

Systemtic Name: 2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-amine Openeye Name: 2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-amine CAS Name: 2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-amine Traditional Name: [2-methyl-4-(3,4,5-trimethoxybenzyl)-1H-pyrazol-2-ium-3-yl]amine Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=CN1)CC2=CC(=C(C(=C2)OC)OC)OC)N

Isomeric SMILES

C[N+]1=C(C(=CN1)CC2=CC(=C(C(=C2)OC)OC)OC)N

InChI

InChI=1S/C14H19N3O3/c1-17-14(15)10(8-16-17)5-9-6-11(18-2)13(20-4)12(7-9)19-3/h6-8H,5H2,1-4H3,(H2,15,16)/p+1