3-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C(=O)NCC[NH+]3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C(=O)NCC[NH+]3CCCCC3)OC

InChI

InChI=1S/C18H24N4O4/c1-24-14-7-6-13(12-15(14)25-2)16-20-18(26-21-16)17(23)19-8-11-22-9-4-3-5-10-22/h6-7,12H,3-5,8-11H2,1-2H3,(H,19,23)/p+1