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

Systemtic Name: 2-[(3S)-piperidin-1-ium-3-yl]-5-[(3-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole Openeye Name: 2-[(3-isopropylphenoxy)methyl]-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole CAS Name: 2-[(3S)-3-piperidin-1-iumyl]-5-[(3-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole IUPAC Name: 2-[(3S)-piperidin-1-ium-3-yl]-5-[(3-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole Traditional Name: 2-[(3-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=C1)OCC2=NN=C(O2)C3CCC[NH2+]C3

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OCC2=NN=C(O2)[C@H]3CCC[NH2+]C3

InChI

InChI=1S/C17H23N3O2/c1-12(2)13-5-3-7-15(9-13)21-11-16-19-20-17(22-16)14-6-4-8-18-10-14/h3,5,7,9,12,14,18H,4,6,8,10-11H2,1-2H3/p+1/t14-/m0/s1