[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-[(4-chloro-1-pyrazolyl)methyl]phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C16H20ClN4O+ MolecularWeight: 319.8092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C16H19ClN4O/c1-19-6-8-20(9-7-19)16(22)14-4-2-13(3-5-14)11-21-12-15(17)10-18-21/h2-5,10,12H,6-9,11H2,1H3/p+1