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

Systemtic Name: 2-[(2-methoxy-4-methyl-phenoxy)methyl]-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole Openeye Name: 2-[(2-methoxy-4-methyl-phenoxy)methyl]-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole CAS Name: 2-[(2-methoxy-4-methylphenoxy)methyl]-5-[(3S)-3-piperidin-1-iumyl]-1,3,4-oxadiazole IUPAC Name: 2-[(2-methoxy-4-methylphenoxy)methyl]-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole Traditional Name: 2-[(2-methoxy-4-methyl-phenoxy)methyl]-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole Formula: C16H22N3O3+ MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3/c1-11-5-6-13(14(8-11)20-2)21-10-15-18-19-16(22-15)12-4-3-7-17-9-12/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3/p+1/t12-/m0/s1