(2-methylsulfanyl-3-phenyl-imidazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-methylsulfanyl-3-phenyl-imidazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-methylsulfanyl-3-phenyl-imidazol-4-yl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-(methylthio)-3-phenyl-4-imidazolyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methylsulfanyl-3-phenylimidazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [2-(methylthio)-3-phenyl-imidazol-4-yl]-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H23N4OS2+ MolecularWeight: 399.55282

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H22N4OS2/c1-26-20-21-14-18(24(20)16-6-3-2-4-7-16)19(25)23-11-9-22(10-12-23)15-17-8-5-13-27-17/h2-8,13-14H,9-12,15H2,1H3/p+1