1-[4-fluoranyl-5-(4-methylpiperidin-1-yl)-2-nitro-phenyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-fluoranyl-5-(4-methylpiperidin-1-yl)-2-nitro-phenyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[4-fluoro-5-(4-methyl-1-piperidyl)-2-nitro-phenyl]-4-methyl-piperazin-4-ium CAS Name: 1-[4-fluoro-5-(4-methyl-1-piperidinyl)-2-nitrophenyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[4-fluoro-5-(4-methylpiperidin-1-yl)-2-nitrophenyl]-4-methylpiperazin-4-ium Traditional Name: 1-[4-fluoro-5-(4-methylpiperidino)-2-nitro-phenyl]-4-methyl-piperazin-4-ium Formula: C17H26FN4O2+ MolecularWeight: 337.412343

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C(=C2)N3CC[NH+](CC3)C)[N+](=O)[O-])F

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C(=C2)N3CC[NH+](CC3)C)[N+](=O)[O-])F

InChI

InChI=1S/C17H25FN4O2/c1-13-3-5-20(6-4-13)15-12-16(17(22(23)24)11-14(15)18)21-9-7-19(2)8-10-21/h11-13H,3-10H2,1-2H3/p+1