N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27FN3O3+ MolecularWeight: 388.455783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3F)OC

InChI

InChI=1S/C21H26FN3O3/c1-27-17-13-16(14-18(15-17)28-2)23-21(26)7-8-24-9-11-25(12-10-24)20-6-4-3-5-19(20)22/h3-6,13-15H,7-12H2,1-2H3,(H,23,26)/p+1