(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide Openeye Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: (2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-methoxy-5-methylphenyl)propanamide IUPAC Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O2/c1-15-4-9-20(27-3)19(14-15)23-21(26)16(2)24-10-12-25(13-11-24)18-7-5-17(22)6-8-18/h4-9,14,16H,10-13H2,1-3H3,(H,23,26)/p+1/t16-/m0/s1