3-phenethyl-5-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-phenethyl-5-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-phenethyl-5-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-phenethyl-5-[[(2S)-2-[2-(1-pyrazolyl)ethyl]-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-phenethyl-5-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-phenethyl-5-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCN2C=CC=N2)CC3=NC(=NO3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CCN2C=CC=N2)CC3=NC(=NO3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O/c1-2-7-18(8-3-1)10-11-20-23-21(27-24-20)17-25-14-5-4-9-19(25)12-16-26-15-6-13-22-26/h1-3,6-8,13,15,19H,4-5,9-12,14,16-17H2/p+1/t19-/m0/s1