1-cyclopropyl-1-(6-fluoranyl-2,3-dimethyl-4-nitro-phenyl)-4-methyl-piperazin-1-ium

Systemtic Name: 1-cyclopropyl-1-(6-fluoranyl-2,3-dimethyl-4-nitro-phenyl)-4-methyl-piperazin-1-ium Openeye Name: 1-cyclopropyl-1-(6-fluoro-2,3-dimethyl-4-nitro-phenyl)-4-methyl-piperazin-1-ium CAS Name: 1-cyclopropyl-1-(6-fluoro-2,3-dimethyl-4-nitrophenyl)-4-methylpiperazin-1-ium IUPAC Name: 1-cyclopropyl-1-(6-fluoro-2,3-dimethyl-4-nitrophenyl)-4-methylpiperazin-1-ium Traditional Name: 1-cyclopropyl-1-(6-fluoro-2,3-dimethyl-4-nitro-phenyl)-4-methyl-piperazin-1-ium Formula: C16H23FN3O2+ MolecularWeight: 308.371123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1[N+](=O)[O-])F)[N+]2(CCN(CC2)C)C3CC3)C

Isomeric SMILES

CC1=C(C(=C(C=C1[N+](=O)[O-])F)[N+]2(CCN(CC2)C)C3CC3)C

InChI

InChI=1S/C16H23FN3O2/c1-11-12(2)16(14(17)10-15(11)19(21)22)20(13-4-5-13)8-6-18(3)7-9-20/h10,13H,4-9H2,1-3H3/q+1