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

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium CAS Name: 1-(5-chloro-2-methylphenyl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperazin-4-ium Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium Formula: C17H23ClN5O2+ MolecularWeight: 364.84982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H22ClN5O2/c1-12-4-5-15(18)10-16(12)21-8-6-20(7-9-21)11-22-14(3)17(23(24)25)13(2)19-22/h4-5,10H,6-9,11H2,1-3H3/p+1