2-(3-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-pyrazol-2-ium-3-amine

Systemtic Name: 2-(3-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-pyrazol-2-ium-3-amine Openeye Name: 2-(3-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-pyrazol-2-ium-3-amine CAS Name: 2-(3-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-(3-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-pyrazol-2-ium-3-amine Traditional Name: [2-(3-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-pyrazol-2-ium-3-yl]amine Formula: C13H15ClN5+ MolecularWeight: 276.7447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=CN[N+](=C2N)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CNC(=NC1)C2=CN[N+](=C2N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C13H14ClN5/c14-9-3-1-4-10(7-9)19-12(15)11(8-18-19)13-16-5-2-6-17-13/h1,3-4,7-8H,2,5-6H2,(H3,15,16,17,18)/p+1