[1-[(2-chloranylphenoxy)methyl]pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[(2-chloranylphenoxy)methyl]pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[(2-chlorophenoxy)methyl]-3-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C16H20ClN4O2+ MolecularWeight: 335.8086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN(C=C2)COC3=CC=CC=C3Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C=C2)COC3=CC=CC=C3Cl

InChI

InChI=1S/C16H19ClN4O2/c1-19-8-10-20(11-9-19)16(22)14-6-7-21(18-14)12-23-15-5-3-2-4-13(15)17/h2-7H,8-12H2,1H3/p+1