3-(4-chloranyl-3-nitro-pyrazol-1-yl)-1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(4-chloranyl-3-nitro-pyrazol-1-yl)-1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(4-chloro-3-nitro-pyrazol-1-yl)-1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(4-chloro-3-nitro-1-pyrazolyl)-1-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(4-chloro-3-nitropyrazol-1-yl)-1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(4-chloro-3-nitro-pyrazol-1-yl)-1-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C17H20ClFN5O3+ MolecularWeight: 396.823803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H19ClFN5O3/c18-15-12-23(20-17(15)24(26)27)6-5-16(25)22-9-7-21(8-10-22)11-13-1-3-14(19)4-2-13/h1-4,12H,5-11H2/p+1