(2R)-N-(3-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-bromophenyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C19H22BrFN3O+ MolecularWeight: 407.299883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrFN3O/c1-14(19(25)22-17-4-2-3-15(20)13-17)23-9-11-24(12-10-23)18-7-5-16(21)6-8-18/h2-8,13-14H,9-12H2,1H3,(H,22,25)/p+1/t14-/m1/s1