(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C19H25FN5O+ MolecularWeight: 358.433103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H24FN5O/c1-15(18(26)21-10-7-16-3-5-17(20)6-4-16)24-11-13-25(14-12-24)19-22-8-2-9-23-19/h2-6,8-9,15H,7,10-14H2,1H3,(H,21,26)/p+1/t15-/m1/s1