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

Systemtic Name: 5-[(4-piperidin-1-ium-1-ylpiperidin-1-yl)methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole Openeye Name: 5-[(4-piperidin-1-ium-1-yl-1-piperidyl)methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(1-piperidin-1-iumyl)-1-piperidinyl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-piperidin-1-ium-1-ylpiperidin-1-yl)methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-[(4-piperidin-1-ium-1-ylpiperidino)methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole Formula: C22H33N4O4+ MolecularWeight: 417.52182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O4/c1-27-18-8-7-17(20(28-2)21(18)29-3)22-23-19(30-24-22)15-25-13-9-16(10-14-25)26-11-5-4-6-12-26/h7-8,16H,4-6,9-15H2,1-3H3/p+1