(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C24H24N5OS+ MolecularWeight: 430.54526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H23N5OS/c30-24(28-12-10-27(11-13-28)16-19-8-14-31-18-19)22-17-29(21-6-2-1-3-7-21)26-23(22)20-5-4-9-25-15-20/h1-9,14-15,17-18H,10-13,16H2/p+1