3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]-N-(2-fluorophenyl)propanamide

Systemtic Name: 3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]-N-(2-fluorophenyl)propanamide Openeye Name: 3-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]-N-(2-fluorophenyl)propanamide CAS Name: 3-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-1-iumyl]-N-(2-fluorophenyl)propanamide IUPAC Name: 3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-ium-1-yl]-N-(2-fluorophenyl)propanamide Traditional Name: 3-[4-(5-fluoro-2-methoxy-benzyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)propionamide Formula: C21H26F2N3O2+ MolecularWeight: 390.446846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C21H25F2N3O2/c1-28-20-7-6-17(22)14-16(20)15-26-12-10-25(11-13-26)9-8-21(27)24-19-5-3-2-4-18(19)23/h2-7,14H,8-13,15H2,1H3,(H,24,27)/p+1