2-(4-chlorophenyl)-5-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methylidene]pyrazol-3-one

Systemtic Name: 2-(4-chlorophenyl)-5-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methylidene]pyrazol-3-one Openeye Name: 2-(4-chlorophenyl)-5-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methylene]pyrazol-3-one CAS Name: 2-(4-chlorophenyl)-5-methyl-4-[(4-methyl-1-piperazin-4-iumyl)methylidene]-3-pyrazolone IUPAC Name: 2-(4-chlorophenyl)-5-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methylidene]pyrazol-3-one Traditional Name: 2-(4-chlorophenyl)-5-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methylene]-2-pyrazolin-3-one Formula: C16H20ClN4O+ MolecularWeight: 319.8092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CN2CC[NH+](CC2)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C(=O)C1=CN2CC[NH+](CC2)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN4O/c1-12-15(11-20-9-7-19(2)8-10-20)16(22)21(18-12)14-5-3-13(17)4-6-14/h3-6,11H,7-10H2,1-2H3/p+1