2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O2S/c25-20(15-27-21-23-18-9-3-4-10-19(18)26-21)22-13-16-7-1-2-8-17(16)14-24-11-5-6-12-24/h1-4,7-10H,5-6,11-15H2,(H,22,25)/p+1