1-tert-butyl-1-[5-(2-fluoranylethyl)quinolin-2-yl]piperazin-1-ium-2-carboxylic acid

Systemtic Name: 1-tert-butyl-1-[5-(2-fluoranylethyl)quinolin-2-yl]piperazin-1-ium-2-carboxylic acid Openeye Name: 1-tert-butyl-1-[5-(2-fluoroethyl)-2-quinolyl]piperazin-1-ium-2-carboxylic acid CAS Name: 1-tert-butyl-1-[5-(2-fluoroethyl)-2-quinolinyl]-2-piperazin-1-iumcarboxylic acid IUPAC Name: 1-tert-butyl-1-[5-(2-fluoroethyl)quinolin-2-yl]piperazin-1-ium-2-carboxylic acid Traditional Name: 1-tert-butyl-1-[5-(2-fluoroethyl)-2-quinolyl]piperazin-1-ium-2-carboxylic acid Formula: C20H27FN3O2+ MolecularWeight: 360.445683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(CCNCC1C(=O)O)C2=NC3=CC=CC(=C3C=C2)CCF

Isomeric SMILES

CC(C)(C)[N+]1(CCNCC1C(=O)O)C2=NC3=CC=CC(=C3C=C2)CCF

InChI

InChI=1S/C20H26FN3O2/c1-20(2,3)24(12-11-22-13-17(24)19(25)26)18-8-7-15-14(9-10-21)5-4-6-16(15)23-18/h4-8,17,22H,9-13H2,1-3H3/p+1