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

Systemtic Name: (4-pyrazol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-pyrazol-1-ylphenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(1-pyrazolyl)phenyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-pyrazol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-pyrazol-1-ylphenyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C19H21N4OS+ MolecularWeight: 353.46124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C19H20N4OS/c24-19(17-2-4-18(5-3-17)23-8-1-7-20-23)22-11-9-21(10-12-22)14-16-6-13-25-15-16/h1-8,13,15H,9-12,14H2/p+1