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

Systemtic Name: [4-azanyl-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-phenyl-methanone Openeye Name: [4-amino-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thieno[2,3-c]isothiazol-5-yl]-phenyl-methanone CAS Name: [4-amino-3-[2-(1-pyrrolidin-1-iumyl)ethylthio]-5-thieno[2,3-c]isothiazolyl]-phenylmethanone IUPAC Name: [4-amino-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-phenylmethanone Traditional Name: [4-amino-3-(2-pyrrolidin-1-ium-1-ylethylthio)thien[2,3-c]isothiazol-5-yl]-phenyl-methanone Formula: C18H20N3OS3+ MolecularWeight: 390.5659

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=C3C(=C(SC3=NS2)C(=O)C4=CC=CC=C4)N

Isomeric SMILES

C1CC[NH+](C1)CCSC2=C3C(=C(SC3=NS2)C(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C18H19N3OS3/c19-14-13-17(24-16(14)15(22)12-6-2-1-3-7-12)20-25-18(13)23-11-10-21-8-4-5-9-21/h1-3,6-7H,4-5,8-11,19H2/p+1