diethyl-[(4S)-4-[[2-(4-fluorophenyl)-6-methyl-quinolin-4-yl]carbonylamino]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[[2-(4-fluorophenyl)-6-methyl-quinolin-4-yl]carbonylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[[2-(4-fluorophenyl)-6-methyl-quinoline-4-carbonyl]amino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[[2-(4-fluorophenyl)-6-methyl-4-quinolinyl]-oxomethyl]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[[2-(4-fluorophenyl)-6-methylquinoline-4-carbonyl]amino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[[2-(4-fluorophenyl)-6-methyl-quinoline-4-carbonyl]amino]pentyl]ammonium Formula: C26H33FN3O+ MolecularWeight: 422.558123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32FN3O/c1-5-30(6-2)15-7-8-19(4)28-26(31)23-17-25(20-10-12-21(27)13-11-20)29-24-14-9-18(3)16-22(23)24/h9-14,16-17,19H,5-8,15H2,1-4H3,(H,28,31)/p+1/t19-/m0/s1