diethyl-[(4S)-4-[[2-(4-fluorophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylamino]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[[2-(4-fluorophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[[2-(4-fluorophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]amino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[[2-(4-fluorophenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[[2-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]amino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[[2-(4-fluorophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]amino]pentyl]ammonium Formula: C23H30FN4OS+ MolecularWeight: 429.573903

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)C1=CC(=NN1C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)C1=CC(=NN1C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C23H29FN4OS/c1-4-27(5-2)14-6-8-17(3)25-23(29)21-16-20(22-9-7-15-30-22)26-28(21)19-12-10-18(24)11-13-19/h7,9-13,15-17H,4-6,8,14H2,1-3H3,(H,25,29)/p+1/t17-/m0/s1