1-[3-nitro-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone Formula: C18H24N5O4+ MolecularWeight: 374.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NOC(=N1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4/c1-12(2)18-19-17(27-20-18)11-21-6-8-22(9-7-21)15-5-4-14(13(3)24)10-16(15)23(25)26/h4-5,10,12H,6-9,11H2,1-3H3/p+1