N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(4-thiazolylmethylthio)benzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(thiazol-4-ylmethylthio)benzamide Formula: C22H26N3O2S2+ MolecularWeight: 428.59074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC=CC=C2SCC3=CSC=N3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC=CC=C2SCC3=CSC=N3)C4=CC=CO4

InChI

InChI=1S/C22H25N3O2S2/c26-22(18-7-2-3-9-21(18)29-15-17-14-28-16-24-17)23-13-19(20-8-6-12-27-20)25-10-4-1-5-11-25/h2-3,6-9,12,14,16,19H,1,4-5,10-11,13,15H2,(H,23,26)/p+1/t19-/m0/s1