[(3S)-1-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [(3S)-1-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-yl]-thiophen-2-yl-methanone Openeye Name: [(3S)-1-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-yl]-(2-thienyl)methanone CAS Name: [(3S)-1-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-1-iumyl]-thiophen-2-ylmethanone IUPAC Name: [(3S)-1-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-yl]-thiophen-2-ylmethanone Traditional Name: [(3S)-1-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-yl]-(2-thienyl)methanone Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC(=NO2)CCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC(=NO2)CCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N3O2S/c25-21(18-9-5-13-27-18)17-8-4-12-24(14-17)15-20-22-19(23-26-20)11-10-16-6-2-1-3-7-16/h1-3,5-7,9,13,17H,4,8,10-12,14-15H2/p+1/t17-/m0/s1