(E)-3-(4,6-dimethyl-1-propan-2-yl-1-propyl-3,4-dihydro-2H-quinolin-1-ium-8-yl)-2-fluoranyl-but-2-enoic acid

Systemtic Name: (E)-3-(4,6-dimethyl-1-propan-2-yl-1-propyl-3,4-dihydro-2H-quinolin-1-ium-8-yl)-2-fluoranyl-but-2-enoic acid Openeye Name: (E)-2-fluoro-3-(1-isopropyl-4,6-dimethyl-1-propyl-3,4-dihydro-2H-quinolin-1-ium-8-yl)but-2-enoic acid CAS Name: (E)-3-(4,6-dimethyl-1-propan-2-yl-1-propyl-3,4-dihydro-2H-quinolin-1-ium-8-yl)-2-fluoro-2-butenoic acid IUPAC Name: (E)-3-(4,6-dimethyl-1-propan-2-yl-1-propyl-3,4-dihydro-2H-quinolin-1-ium-8-yl)-2-fluorobut-2-enoic acid Traditional Name: (E)-2-fluoro-3-(1-isopropyl-4,6-dimethyl-1-propyl-3,4-dihydro-2H-quinolin-1-ium-8-yl)but-2-enoic acid Formula: C21H31FNO2+ MolecularWeight: 348.474743

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C2=C1C(=CC(=C2)C)C(=C(C(=O)O)F)C)C)C(C)C

Isomeric SMILES

CCC[N+]1(CCC(C2=C1C(=CC(=C2)C)/C(=C(\C(=O)O)/F)/C)C)C(C)C

InChI

InChI=1S/C21H30FNO2/c1-7-9-23(13(2)3)10-8-15(5)17-11-14(4)12-18(20(17)23)16(6)19(22)21(24)25/h11-13,15H,7-10H2,1-6H3/p+1/b19-16+