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

Systemtic Name: diethyl-[(4S)-4-[[2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl]carbonylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[[2-(m-tolyl)-5-phenyl-pyrazole-3-carbonyl]amino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[[2-(3-methylphenyl)-5-phenyl-3-pyrazolyl]-oxomethyl]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[[2-(3-methylphenyl)-5-phenylpyrazole-3-carbonyl]amino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[[2-(m-tolyl)-5-phenyl-pyrazole-3-carbonyl]amino]pentyl]ammonium Formula: C26H35N4O+ MolecularWeight: 419.5823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O/c1-5-29(6-2)17-11-13-21(4)27-26(31)25-19-24(22-14-8-7-9-15-22)28-30(25)23-16-10-12-20(3)18-23/h7-10,12,14-16,18-19,21H,5-6,11,13,17H2,1-4H3,(H,27,31)/p+1/t21-/m0/s1