2-(naphthalen-1-ylmethylsulfanyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole

Systemtic Name: 2-(naphthalen-1-ylmethylsulfanyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Openeye Name: 2-(1-naphthylmethylsulfanyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole CAS Name: 2-(1-naphthalenylmethylthio)-5-[(2S)-2-pyrrolidin-1-iumyl]-1,3,4-oxadiazole IUPAC Name: 2-(naphthalen-1-ylmethylsulfanyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Traditional Name: 2-(1-naphthylmethylthio)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=NN=C(O2)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1C[C@H]([NH2+]C1)C2=NN=C(O2)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C17H17N3OS/c1-2-8-14-12(5-1)6-3-7-13(14)11-22-17-20-19-16(21-17)15-9-4-10-18-15/h1-3,5-8,15,18H,4,9-11H2/p+1/t15-/m0/s1