N-(2-fluorophenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-nitro-benzamide

Systemtic Name: N-(2-fluorophenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-nitro-benzamide Openeye Name: N-(2-fluorophenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-nitro-benzamide CAS Name: N-(2-fluorophenyl)-2-[[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-nitrobenzamide IUPAC Name: N-(2-fluorophenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-nitrobenzamide Traditional Name: N-(2-fluorophenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-nitro-benzamide Formula: C26H27FN5O5+ MolecularWeight: 508.521483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4F

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C26H26FN5O5/c1-37-24-9-5-4-8-23(24)31-14-12-30(13-15-31)17-25(33)28-21-11-10-18(32(35)36)16-19(21)26(34)29-22-7-3-2-6-20(22)27/h2-11,16H,12-15,17H2,1H3,(H,28,33)(H,29,34)/p+1