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

Systemtic Name: 1-(3-chlorophenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium Formula: C16H21ClN5O2+ MolecularWeight: 350.82324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN5O2/c1-12-16(22(23)24)13(2)21(18-12)11-19-6-8-20(9-7-19)15-5-3-4-14(17)10-15/h3-5,10H,6-9,11H2,1-2H3/p+1