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

Systemtic Name: 5-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole CAS Name: 5-[[4-(2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-3-propyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Formula: C16H22N5O3+ MolecularWeight: 332.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)C[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCC1=NOC(=N1)C[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3/c1-2-5-15-17-16(24-18-15)12-19-8-10-20(11-9-19)13-6-3-4-7-14(13)21(22)23/h3-4,6-7H,2,5,8-12H2,1H3/p+1