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

Systemtic Name: 2-[(2,4-dimethylphenoxy)methyl]-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole Openeye Name: 2-[(2,4-dimethylphenoxy)methyl]-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole CAS Name: 2-[(2,4-dimethylphenoxy)methyl]-5-[(3S)-3-piperidin-1-iumyl]-1,3,4-oxadiazole IUPAC Name: 2-[(2,4-dimethylphenoxy)methyl]-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole Traditional Name: 2-[(2,4-dimethylphenoxy)methyl]-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=NN=C(O2)C3CCC[NH2+]C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=NN=C(O2)[C@H]3CCC[NH2+]C3)C

InChI

InChI=1S/C16H21N3O2/c1-11-5-6-14(12(2)8-11)20-10-15-18-19-16(21-15)13-4-3-7-17-9-13/h5-6,8,13,17H,3-4,7,9-10H2,1-2H3/p+1/t13-/m0/s1