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

Systemtic Name: [(4S)-4-[[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]carbonylamino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[[2-(2,4-dimethylphenyl)-5-phenyl-pyrazole-3-carbonyl]amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[[2-(2,4-dimethylphenyl)-5-phenyl-3-pyrazolyl]-oxomethyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[2-(2,4-dimethylphenyl)-5-phenylpyrazole-3-carbonyl]amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[[2-(2,4-dimethylphenyl)-5-phenyl-pyrazole-3-carbonyl]amino]pentyl]-diethyl-ammonium Formula: C27H37N4O+ MolecularWeight: 433.60888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O/c1-6-30(7-2)17-11-12-22(5)28-27(32)26-19-24(23-13-9-8-10-14-23)29-31(26)25-16-15-20(3)18-21(25)4/h8-10,13-16,18-19,22H,6-7,11-12,17H2,1-5H3,(H,28,32)/p+1/t22-/m0/s1