2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-(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=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4O3

InChI

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