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

Systemtic Name: 2-[(3S)-piperidin-1-ium-3-yl]-5-[(2-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole Openeye Name: 2-[(2-isopropylphenoxy)methyl]-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole CAS Name: 2-[(3S)-3-piperidin-1-iumyl]-5-[(2-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole IUPAC Name: 2-[(3S)-piperidin-1-ium-3-yl]-5-[(2-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole Traditional Name: 2-[(2-isopropylphenoxy)methyl]-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC2=NN=C(O2)C3CCC[NH2+]C3

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC2=NN=C(O2)[C@H]3CCC[NH2+]C3

InChI

InChI=1S/C17H23N3O2/c1-12(2)14-7-3-4-8-15(14)21-11-16-19-20-17(22-16)13-6-5-9-18-10-13/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3/p+1/t13-/m0/s1