(4-methylpiperazin-4-ium-1-yl)-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[2-phenyl-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-(2-phenyl-5-thiophen-2-yl-3-pyrazolyl)methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(2-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[2-phenyl-5-(2-thienyl)pyrazol-3-yl]methanone Formula: C19H21N4OS+ MolecularWeight: 353.46124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C19H20N4OS/c1-21-9-11-22(12-10-21)19(24)17-14-16(18-8-5-13-25-18)20-23(17)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3/p+1