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

Systemtic Name: 4-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[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=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

Isomeric SMILES

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

InChI

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