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

Systemtic Name: 5-ethyl-4-(phenylmethyl)-1H-pyrazol-2-ium-3-amine Openeye Name: 4-benzyl-5-ethyl-1H-pyrazol-2-ium-3-amine CAS Name: 5-ethyl-4-(phenylmethyl)-1H-pyrazol-2-ium-3-amine IUPAC Name: 4-benzyl-5-ethyl-1H-pyrazol-2-ium-3-amine Traditional Name: (4-benzyl-5-ethyl-1H-pyrazol-2-ium-3-yl)amine Formula: C12H16N3+ MolecularWeight: 202.27554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[NH+]N1)N)CC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=[NH+]N1)N)CC2=CC=CC=C2

InChI

InChI=1S/C12H15N3/c1-2-11-10(12(13)15-14-11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H3,13,14,15)/p+1