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

Systemtic Name: diethyl-[(4S)-4-[[2-(4-methylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[[2-(p-tolyl)-5-(2-thienyl)pyrazole-3-carbonyl]amino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[[2-(4-methylphenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[[2-(4-methylphenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]amino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[[2-(p-tolyl)-5-(2-thienyl)pyrazole-3-carbonyl]amino]pentyl]ammonium Formula: C24H33N4OS+ MolecularWeight: 425.61002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4OS/c1-5-27(6-2)15-7-9-19(4)25-24(29)22-17-21(23-10-8-16-30-23)26-28(22)20-13-11-18(3)12-14-20/h8,10-14,16-17,19H,5-7,9,15H2,1-4H3,(H,25,29)/p+1/t19-/m0/s1