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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=N1)C(C)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NOC(=N1)[C@H](C)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3/c1-3-15-17-16(24-18-15)12(2)19-8-10-20(11-9-19)13-4-6-14(7-5-13)21(22)23/h4-7,12H,3,8-11H2,1-2H3/p+1/t12-/m0/s1