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

Systemtic Name: 1-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazin-4-iumyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone Formula: C18H23N4O4+ MolecularWeight: 359.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4/c1-12-16(14(3)26-19-12)11-20-6-8-21(9-7-20)17-5-4-15(13(2)23)10-18(17)22(24)25/h4-5,10H,6-9,11H2,1-3H3/p+1