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

Systemtic Name: 2-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-N-propyl-ethanamide Openeye Name: 2-[[2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-propyl-acetamide CAS Name: 2-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-N-propylacetamide IUPAC Name: 2-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-propylacetamide Traditional Name: 2-[[2-[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-propyl-acetamide Formula: C19H31FN4O3+2 MolecularWeight: 382.472843

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C[NH+]1CC[NH+](CC1)CC2=C(C=CC(=C2)F)OC

Isomeric SMILES

CCCNC(=O)CNC(=O)C[NH+]1CC[NH+](CC1)CC2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C19H29FN4O3/c1-3-6-21-18(25)12-22-19(26)14-24-9-7-23(8-10-24)13-15-11-16(20)4-5-17(15)27-2/h4-5,11H,3,6-10,12-14H2,1-2H3,(H,21,25)(H,22,26)/p+2