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

Systemtic Name: [(4S)-4-[[2-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonylamino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[[2-(3-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[[2-(3-chlorophenyl)-5-(2-furanyl)-3-pyrazolyl]-oxomethyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[2-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[[2-(3-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]amino]pentyl]-diethyl-ammonium Formula: C23H30ClN4O2+ MolecularWeight: 429.9629

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)C1=CC(=NN1C2=CC(=CC=C2)Cl)C3=CC=CO3

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)C1=CC(=NN1C2=CC(=CC=C2)Cl)C3=CC=CO3

InChI

InChI=1S/C23H29ClN4O2/c1-4-27(5-2)13-7-9-17(3)25-23(29)21-16-20(22-12-8-14-30-22)26-28(21)19-11-6-10-18(24)15-19/h6,8,10-12,14-17H,4-5,7,9,13H2,1-3H3,(H,25,29)/p+1/t17-/m0/s1