3-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 3-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-methyl-benzamide Formula: C22H29FN4O3+2 MolecularWeight: 416.489063

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C22H27FN4O3/c1-24-22(29)16-4-3-5-19(13-16)25-21(28)15-27-10-8-26(9-11-27)14-17-12-18(23)6-7-20(17)30-2/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,29)(H,25,28)/p+2