[2-[[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)amino]methyl]benzyl]-diethyl-ammonium Formula: C23H28ClN4O+ MolecularWeight: 411.94762

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H27ClN4O/c1-4-27(5-2)16-19-12-10-9-11-18(19)15-25-23(29)21-17(3)26-28(22(21)24)20-13-7-6-8-14-20/h6-14H,4-5,15-16H2,1-3H3,(H,25,29)/p+1