3-(4-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,2,4-oxadiazole-5-carboxamide

Systemtic Name: 3-(4-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,2,4-oxadiazole-5-carboxamide Openeye Name: 3-(4-isopropoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,2,4-oxadiazole-5-carboxamide CAS Name: 3-(4-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-1,2,4-oxadiazole-5-carboxamide IUPAC Name: 3-(4-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-(4-isopropoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,2,4-oxadiazole-5-carboxamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NOC(=N2)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NOC(=N2)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C

InChI

InChI=1S/C21H30N4O3/c1-13(2)27-16-9-7-14(8-10-16)17-23-19(28-24-17)18(26)22-15-11-20(3,4)25-21(5,6)12-15/h7-10,13,15,25H,11-12H2,1-6H3,(H,22,26)/p+1