4-ethyl-5-methyl-2-(phenylmethyl)-1H-pyrazol-2-ium-3-amine

Systemtic Name: 4-ethyl-5-methyl-2-(phenylmethyl)-1H-pyrazol-2-ium-3-amine Openeye Name: 2-benzyl-4-ethyl-5-methyl-1H-pyrazol-2-ium-3-amine CAS Name: 4-ethyl-5-methyl-2-(phenylmethyl)-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-benzyl-4-ethyl-5-methyl-1H-pyrazol-2-ium-3-amine Traditional Name: (2-benzyl-4-ethyl-5-methyl-1H-pyrazol-2-ium-3-yl)amine Formula: C13H18N3+ MolecularWeight: 216.30212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N[N+](=C1N)CC2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(N[N+](=C1N)CC2=CC=CC=C2)C

InChI

InChI=1S/C13H17N3/c1-3-12-10(2)15-16(13(12)14)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H2,14,15)/p+1