1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)CN3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)CN3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

InChI

InChI=1S/C21H29N5O3/c1-28-17-7-5-16(6-8-17)19-23-18(29-24-19)15-25-13-9-21(10-14-25,20(22)27)26-11-3-2-4-12-26/h5-8H,2-4,9-15H2,1H3,(H2,22,27)/p+1