5-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 3-(4-nitrophenyl)-5-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-2-29-19-6-4-3-5-18(19)25-13-11-24(12-14-25)15-20-22-21(23-30-20)16-7-9-17(10-8-16)26(27)28/h3-10H,2,11-15H2,1H3/p+1