4-[(4-dimethylaminophenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: 4-[(4-dimethylaminophenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Openeye Name: 4-[(4-dimethylaminophenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine CAS Name: 4-[(4-dimethylaminophenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine IUPAC Name: 4-[(4-dimethylaminophenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Traditional Name: [4-[(3-amino-2-methyl-1H-pyrazol-2-ium-4-yl)methyl]phenyl]-dimethyl-amine Formula: C13H19N4+ MolecularWeight: 231.31676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4/c1-16(2)12-6-4-10(5-7-12)8-11-9-15-17(3)13(11)14/h4-7,9H,8H2,1-3H3,(H2,14,15)/p+1