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

Systemtic Name: diethyl-[(4S)-4-[(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]amino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[oxo-(2-phenyl-5-thiophen-2-yl-3-pyrazolyl)methyl]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[(2-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)amino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]amino]pentyl]ammonium Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4OS/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