(2S)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide Openeye Name: (2S)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide CAS Name: (2S)-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide Traditional Name: (2S)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propionamide Formula: C21H25FN3O3+ MolecularWeight: 386.439903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H24FN3O3/c1-15(20(26)23-16-7-9-17(28-2)10-8-16)24-11-13-25(14-12-24)21(27)18-5-3-4-6-19(18)22/h3-10,15H,11-14H2,1-2H3,(H,23,26)/p+1/t15-/m0/s1