[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C22H27N4OS+ MolecularWeight: 395.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C22H26N4OS/c1-17-21(18(2)26(23-17)15-19-7-4-3-5-8-19)22(27)25-12-10-24(11-13-25)16-20-9-6-14-28-20/h3-9,14H,10-13,15-16H2,1-2H3/p+1