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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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