(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-phenyl-3-(2-thienyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [1-phenyl-3-(2-thienyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C23H22N5OS+ MolecularWeight: 416.51868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C23H21N5OS/c29-23(27-14-12-26(13-15-27)21-10-4-5-11-24-21)19-17-28(18-7-2-1-3-8-18)25-22(19)20-9-6-16-30-20/h1-11,16-17H,12-15H2/p+1