N,N-diethyl-2-fluoranyl-4-nitro-5-piperazin-4-ium-1-yl-aniline

Systemtic Name: N,N-diethyl-2-fluoranyl-4-nitro-5-piperazin-4-ium-1-yl-aniline Openeye Name: N,N-diethyl-2-fluoro-4-nitro-5-piperazin-4-ium-1-yl-aniline CAS Name: N,N-diethyl-2-fluoro-4-nitro-5-(1-piperazin-4-iumyl)aniline IUPAC Name: N,N-diethyl-2-fluoro-4-nitro-5-piperazin-4-ium-1-ylaniline Traditional Name: diethyl-(2-fluoro-4-nitro-5-piperazin-4-ium-1-yl-phenyl)amine Formula: C14H22FN4O2+ MolecularWeight: 297.348483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C(=C1)N2CC[NH2+]CC2)[N+](=O)[O-])F

Isomeric SMILES

CCN(CC)C1=C(C=C(C(=C1)N2CC[NH2+]CC2)[N+](=O)[O-])F

InChI

InChI=1S/C14H21FN4O2/c1-3-17(4-2)12-10-13(18-7-5-16-6-8-18)14(19(20)21)9-11(12)15/h9-10,16H,3-8H2,1-2H3/p+1