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

Systemtic Name: diethyl-[(4S)-4-[[5-(furan-2-yl)-2-phenyl-pyrazol-3-yl]carbonylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[[5-(2-furyl)-2-phenyl-pyrazole-3-carbonyl]amino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[[5-(2-furanyl)-2-phenyl-3-pyrazolyl]-oxomethyl]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[[5-(furan-2-yl)-2-phenylpyrazole-3-carbonyl]amino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[[5-(2-furyl)-2-phenyl-pyrazole-3-carbonyl]amino]pentyl]ammonium Formula: C23H31N4O2+ MolecularWeight: 395.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2/c1-4-26(5-2)15-9-11-18(3)24-23(28)21-17-20(22-14-10-16-29-22)25-27(21)19-12-7-6-8-13-19/h6-8,10,12-14,16-18H,4-5,9,11,15H2,1-3H3,(H,24,28)/p+1/t18-/m0/s1