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

Systemtic Name: 5-[[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[(3S)-3-[(3-methoxyphenoxy)methyl]-1-piperidin-1-iumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2CCC[NH+](C2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

COC1=CC(=CC=C1)OC[C@H]2CCC[NH+](C2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C20H23N3O3S/c1-24-16-6-2-7-17(11-16)25-14-15-5-3-9-23(12-15)13-19-21-20(22-26-19)18-8-4-10-27-18/h2,4,6-8,10-11,15H,3,5,9,12-14H2,1H3/p+1/t15-/m0/s1