5-[[(2S)-2-phenethylpiperidin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[(2S)-2-phenethylpiperidin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[(2S)-2-phenethylpiperidin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[(2S)-2-phenethyl-1-piperidin-1-iumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[(2S)-2-phenethylpiperidin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[(2S)-2-phenethylpiperidin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCC2=CC=CC=C2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CCC2=CC=CC=C2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C20H23N3OS/c1-2-7-16(8-3-1)11-12-17-9-4-5-13-23(17)15-19-21-20(22-24-19)18-10-6-14-25-18/h1-3,6-8,10,14,17H,4-5,9,11-13,15H2/p+1/t17-/m0/s1