7-chloranyl-4-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]quinolin-1-ium

Systemtic Name: 7-chloranyl-4-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]quinolin-1-ium Openeye Name: 7-chloro-4-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]quinolin-1-ium CAS Name: 7-chloro-4-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]quinolin-1-ium IUPAC Name: 7-chloro-4-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]quinolin-1-ium Traditional Name: 7-chloro-4-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]quinolin-1-ium Formula: C24H24ClN6O2+ MolecularWeight: 463.93936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C24H23ClN6O2/c1-16-13-17(2)30(27-16)24-15-19(4-6-23(24)31(32)33)28-9-11-29(12-10-28)22-7-8-26-21-14-18(25)3-5-20(21)22/h3-8,13-15H,9-12H2,1-2H3/p+1