[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [5-[(2-isopropylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [5-[(2-propan-2-yl-1-imidazolyl)methyl]-1H-pyrazol-3-yl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [5-[(2-isopropylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H27N6OS+ MolecularWeight: 399.53298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=CN1CC2=CC(=NN2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CC(C)C1=NC=CN1CC2=CC(=NN2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H26N6OS/c1-15(2)19-21-5-6-26(19)13-16-12-18(23-22-16)20(27)25-9-7-24(8-10-25)14-17-4-3-11-28-17/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,22,23)/p+1