2-[4-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[4-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[4-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Formula: C18H22Cl2N5O2+ MolecularWeight: 411.30558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl)Cl)C

InChI

InChI=1S/C18H21Cl2N5O2/c1-12-16(17(20)23(2)22-12)18(27)25-9-7-24(8-10-25)11-15(26)21-14-6-4-3-5-13(14)19/h3-6H,7-11H2,1-2H3,(H,21,26)/p+1