N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(4-thiazolylmethylthio)benzamide IUPAC Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(thiazol-4-ylmethylthio)benzamide Formula: C23H26N3OS2+ MolecularWeight: 424.60204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=C(C=C2)SCC3=CSC=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC=C(C=C2)SCC3=CSC=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS2/c27-23(19-8-10-21(11-9-19)29-16-20-15-28-17-25-20)24-14-22(26-12-4-5-13-26)18-6-2-1-3-7-18/h1-3,6-11,15,17,22H,4-5,12-14,16H2,(H,24,27)/p+1/t22-/m0/s1