N-(4-fluoranyl-2-nitro-phenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(4-fluoranyl-2-nitro-phenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-fluoro-2-nitro-phenyl)-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-fluoro-2-nitrophenyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-fluoro-2-nitrophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-fluoro-2-nitro-phenyl)-2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C20H25FN4O3+2 MolecularWeight: 388.435903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H23FN4O3/c1-15-3-2-4-16(11-15)13-23-7-9-24(10-8-23)14-20(26)22-18-6-5-17(21)12-19(18)25(27)28/h2-6,11-12H,7-10,13-14H2,1H3,(H,22,26)/p+2