3-(1,4-dihydroquinolin-7-yl)-4-ethyl-5-fluoranyl-4-methoxycarbonyl-6-oxa-1-aza-4-azoniabicyclo[3.1.1]heptane-2-carboxylic acid

Systemtic Name: 3-(1,4-dihydroquinolin-7-yl)-4-ethyl-5-fluoranyl-4-methoxycarbonyl-6-oxa-1-aza-4-azoniabicyclo[3.1.1]heptane-2-carboxylic acid Openeye Name: 3-(1,4-dihydroquinolin-7-yl)-4-ethyl-5-fluoro-4-methoxycarbonyl-6-oxa-1-aza-4-azoniabicyclo[3.1.1]heptane-2-carboxylic acid CAS Name: 3-(1,4-dihydroquinolin-7-yl)-4-ethyl-5-fluoro-4-methoxycarbonyl-6-oxa-1-aza-4-azoniabicyclo[3.1.1]heptane-2-carboxylic acid IUPAC Name: 3-(1,4-dihydroquinolin-7-yl)-4-ethyl-5-fluoro-4-methoxycarbonyl-6-oxa-1-aza-4-azoniabicyclo[3.1.1]heptane-2-carboxylic acid Traditional Name: 4-carbomethoxy-3-(1,4-dihydroquinolin-7-yl)-4-ethyl-5-fluoro-6-oxa-1-aza-4-azoniabicyclo[3.1.1]heptane-2-carboxylic acid Formula: C18H21FN3O5+ MolecularWeight: 378.374843

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(C(N2CC1(O2)F)C(=O)O)C3=CC4=C(CC=CN4)C=C3)C(=O)OC

Isomeric SMILES

CC[N+]1(C(C(N2CC1(O2)F)C(=O)O)C3=CC4=C(CC=CN4)C=C3)C(=O)OC

InChI

InChI=1S/C18H20FN3O5/c1-3-22(17(25)26-2)15(14(16(23)24)21-10-18(22,19)27-21)12-7-6-11-5-4-8-20-13(11)9-12/h4,6-9,14-15,20H,3,5,10H2,1-2H3/p+1