3-(3,4-dimethoxyphenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-oxadiazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-oxadiazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-oxadiazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-(1-piperidin-1-iumylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-oxadiazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-oxadiazole Formula: C16H22N3O3+ MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3/c1-20-13-7-6-12(10-14(13)21-2)16-17-15(22-18-16)11-19-8-4-3-5-9-19/h6-7,10H,3-5,8-9,11H2,1-2H3/p+1