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

Systemtic Name: 3-phenethyl-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-phenethyl-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-phenethyl-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-phenethyl-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-phenethyl-5-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-1,2,4-oxadiazole Formula: C20H24N5O+ MolecularWeight: 350.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=NO2)CCC3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CC2=NC(=NO2)CCC3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N5O/c1-2-6-17(7-3-1)9-10-18-22-20(26-23-18)16-24-12-14-25(15-13-24)19-8-4-5-11-21-19/h1-8,11H,9-10,12-16H2/p+1