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

Systemtic Name: 3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-[(4-methoxyphenoxy)methyl]-5-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C20H25N5O3+2 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NOC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NOC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N5O3/c1-26-16-5-7-17(8-6-16)27-15-18-22-20(28-23-18)14-24-10-12-25(13-11-24)19-4-2-3-9-21-19/h2-9H,10-15H2,1H3/p+2