(2S)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27FN3O+ MolecularWeight: 356.456983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H26FN3O/c1-15-4-9-20(16(2)14-15)23-21(26)17(3)24-10-12-25(13-11-24)19-7-5-18(22)6-8-19/h4-9,14,17H,10-13H2,1-3H3,(H,23,26)/p+1/t17-/m0/s1