2-[(3S)-piperidin-1-ium-3-yl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(3S)-piperidin-1-ium-3-yl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole Openeye Name: 2-(4-isopropylphenyl)-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole CAS Name: 2-[(3S)-3-piperidin-1-iumyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(3S)-piperidin-1-ium-3-yl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole Traditional Name: 2-p-cumenyl-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN=C(O2)C3CCC[NH2+]C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN=C(O2)[C@H]3CCC[NH2+]C3

InChI

InChI=1S/C16H21N3O/c1-11(2)12-5-7-13(8-6-12)15-18-19-16(20-15)14-4-3-9-17-10-14/h5-8,11,14,17H,3-4,9-10H2,1-2H3/p+1/t14-/m0/s1