diethyl-[(4S)-4-[(6-fluoranyl-2-thiophen-2-yl-quinolin-4-yl)carbonylamino]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[(6-fluoranyl-2-thiophen-2-yl-quinolin-4-yl)carbonylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[[6-fluoro-2-(2-thienyl)quinoline-4-carbonyl]amino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[(6-fluoro-2-thiophen-2-yl-4-quinolinyl)-oxomethyl]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[(6-fluoro-2-thiophen-2-ylquinoline-4-carbonyl)amino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[[6-fluoro-2-(2-thienyl)quinoline-4-carbonyl]amino]pentyl]ammonium Formula: C23H29FN3OS+ MolecularWeight: 414.559263

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)C1=CC(=NC2=C1C=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)C1=CC(=NC2=C1C=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C23H28FN3OS/c1-4-27(5-2)12-6-8-16(3)25-23(28)19-15-21(22-9-7-13-29-22)26-20-11-10-17(24)14-18(19)20/h7,9-11,13-16H,4-6,8,12H2,1-3H3,(H,25,28)/p+1/t16-/m0/s1