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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H30FN3O2+2 MolecularWeight: 387.490903

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C22H28FN3O2/c1-3-17-6-4-5-7-20(17)24-22(27)16-26-12-10-25(11-13-26)15-18-14-19(23)8-9-21(18)28-2/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,24,27)/p+2