5-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole Openeye Name: 5-[[4-(4-pyridyl)piperidin-1-ium-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole CAS Name: 5-[(4-pyridin-4-yl-1-piperidin-1-iumyl)methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-[[4-(4-pyridyl)piperidin-1-ium-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole Formula: C22H27N4O4+ MolecularWeight: 411.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=NOC(=N2)C[NH+]3CCC(CC3)C4=CC=NC=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2=NOC(=N2)C[NH+]3CCC(CC3)C4=CC=NC=C4)OC)OC

InChI

InChI=1S/C22H26N4O4/c1-27-18-5-4-17(20(28-2)21(18)29-3)22-24-19(30-25-22)14-26-12-8-16(9-13-26)15-6-10-23-11-7-15/h4-7,10-11,16H,8-9,12-14H2,1-3H3/p+1