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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-5-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-5-[[4-(4-pyridyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-5-[(4-pyridin-4-yl-1-piperidin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-5-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 5-[[4-(4-pyridyl)piperidin-1-ium-1-yl]methyl]-3-veratryl-1,2,4-oxadiazole Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NOC(=N2)C[NH+]3CCC(CC3)C4=CC=NC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NOC(=N2)C[NH+]3CCC(CC3)C4=CC=NC=C4)OC

InChI

InChI=1S/C22H26N4O3/c1-27-19-4-3-16(13-20(19)28-2)14-21-24-22(29-25-21)15-26-11-7-18(8-12-26)17-5-9-23-10-6-17/h3-6,9-10,13,18H,7-8,11-12,14-15H2,1-2H3/p+1