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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OCC2=NN=C(O2)C3CC[NH2+]CC3

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OCC2=NN=C(O2)C3CC[NH2+]CC3

InChI

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