2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]ethanone Formula: C18H20N3O2S2+ MolecularWeight: 374.5003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H19N3O2S2/c22-17(13-25-18-19-15-3-1-2-4-16(15)23-18)21-8-6-20(7-9-21)11-14-5-10-24-12-14/h1-5,10,12H,6-9,11,13H2/p+1