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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H24BrFN3O+ MolecularWeight: 421.326463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3F)Br

InChI

InChI=1S/C20H23BrFN3O/c1-15-14-16(6-7-17(15)21)23-20(26)8-9-24-10-12-25(13-11-24)19-5-3-2-4-18(19)22/h2-7,14H,8-13H2,1H3,(H,23,26)/p+1