4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(2-pyrrolidin-1-ium-1-ylethyl)butyramide Formula: C17H24N3OS2+ MolecularWeight: 350.52196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H23N3OS2/c21-16(18-9-12-20-10-3-4-11-20)8-5-13-22-17-19-14-6-1-2-7-15(14)23-17/h1-2,6-7H,3-5,8-13H2,(H,18,21)/p+1