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

Systemtic Name: 1-[4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C18H24N5O3+ MolecularWeight: 358.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3/c1-13-18(23(25)26)14(2)22(19-13)12-20-8-10-21(11-9-20)17-6-4-16(5-7-17)15(3)24/h4-7H,8-12H2,1-3H3/p+1