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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

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