4-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[2-(1H-imidazol-3-ium-5-yl)ethyl]pyrimidin-2-amine

Systemtic Name: 4-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[2-(1H-imidazol-3-ium-5-yl)ethyl]pyrimidin-2-amine Openeye Name: 4-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[2-(1H-imidazol-3-ium-5-yl)ethyl]pyrimidin-2-amine CAS Name: 4-[1-(3-chlorophenyl)-4-pyrazolyl]-N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-2-pyrimidinamine IUPAC Name: 4-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[2-(1H-imidazol-3-ium-5-yl)ethyl]pyrimidin-2-amine Traditional Name: [4-[1-(3-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-[2-(1H-imidazol-3-ium-5-yl)ethyl]amine Formula: C18H17ClN7+ MolecularWeight: 366.82748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C=C(C=N2)C3=NC(=NC=C3)NCCC4=C[NH+]=CN4

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C=C(C=N2)C3=NC(=NC=C3)NCCC4=C[NH+]=CN4

InChI

InChI=1S/C18H16ClN7/c19-14-2-1-3-16(8-14)26-11-13(9-24-26)17-5-7-22-18(25-17)21-6-4-15-10-20-12-23-15/h1-3,5,7-12H,4,6H2,(H,20,23)(H,21,22,25)/p+1