(2R)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(4-bromo-2-fluoro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(4-bromo-2-fluoro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C19H22BrFN3O+ MolecularWeight: 407.299883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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