[4-azanyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-azanyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-yl-methanone Openeye Name: [4-amino-3-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-c]isothiazol-5-yl]-(2-thienyl)methanone CAS Name: [4-amino-3-[2-(1-piperidin-1-iumyl)ethylthio]-5-thieno[2,3-c]isothiazolyl]-thiophen-2-ylmethanone IUPAC Name: [4-amino-3-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone Traditional Name: [4-amino-3-(2-piperidin-1-ium-1-ylethylthio)thien[2,3-c]isothiazol-5-yl]-(2-thienyl)methanone Formula: C17H20N3OS4+ MolecularWeight: 410.6202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=C3C(=C(SC3=NS2)C(=O)C4=CC=CS4)N

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=C3C(=C(SC3=NS2)C(=O)C4=CC=CS4)N

InChI

InChI=1S/C17H19N3OS4/c18-13-12-16(24-15(13)14(21)11-5-4-9-22-11)19-25-17(12)23-10-8-20-6-2-1-3-7-20/h4-5,9H,1-3,6-8,10,18H2/p+1