ethyl 4-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-6-methyl-quinolin-1-ium-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-6-methyl-quinolin-1-ium-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-6-methyl-quinolin-1-ium-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-6-methyl-2-quinolin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-6-methylquinolin-1-ium-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[[2-(2-fluorophenyl)ethylamino]methyl]-6-methyl-quinolin-1-ium-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C26H32FN4O2+ MolecularWeight: 451.556283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=[NH+]2)C)CNCCC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=[NH+]2)C)CNCCC4=CC=CC=C4F

InChI

InChI=1S/C26H31FN4O2/c1-3-33-26(32)31-14-12-30(13-15-31)25-22(17-21-16-19(2)8-9-24(21)29-25)18-28-11-10-20-6-4-5-7-23(20)27/h4-9,16-17,28H,3,10-15,18H2,1-2H3/p+1