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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN5/c14-9-2-4-10(5-3-9)19-12(15)11(8-18-19)13-16-6-1-7-17-13/h2-5,8H,1,6-7H2,(H3,15,16,17,18)/p+1