1-[(4-chlorophenyl)methyl]-4-(4-nitro-1H-pyrazol-5-yl)piperazin-1-ium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(4-nitro-1H-pyrazol-5-yl)piperazin-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(4-nitro-1H-pyrazol-5-yl)piperazin-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-4-(4-nitro-1H-pyrazol-5-yl)piperazin-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(4-nitro-1H-pyrazol-5-yl)piperazin-1-ium Traditional Name: 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazin-1-ium Formula: C14H17ClN5O2+ MolecularWeight: 322.77008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=C(C=NN3)[N+](=O)[O-]

InChI

InChI=1S/C14H16ClN5O2/c15-12-3-1-11(2-4-12)10-18-5-7-19(8-6-18)14-13(20(21)22)9-16-17-14/h1-4,9H,5-8,10H2,(H,16,17)/p+1