(2S)-N-(3-bromophenyl)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-bromophenyl)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-bromophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-bromophenyl)-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-bromophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-bromophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]propionamide Formula: C20H22BrFN3O2+ MolecularWeight: 435.309983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrFN3O2/c1-14(19(26)23-16-6-4-5-15(21)13-16)24-9-11-25(12-10-24)20(27)17-7-2-3-8-18(17)22/h2-8,13-14H,9-12H2,1H3,(H,23,26)/p+1/t14-/m0/s1