N-(4-bromanyl-2-fluoranyl-phenyl)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C21H26BrFN3O2+ MolecularWeight: 451.352443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C21H25BrFN3O2/c1-2-28-20-6-4-3-5-19(20)26-13-11-25(12-14-26)10-9-21(27)24-18-8-7-16(22)15-17(18)23/h3-8,15H,2,9-14H2,1H3,(H,24,27)/p+1