diethyl-[[4-[[(1-phenylpyrazol-4-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[(1-phenylpyrazol-4-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[oxo-(1-phenyl-4-pyrazolyl)methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]benzyl]ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O/c1-3-25(4-2)16-19-12-10-18(11-13-19)14-23-22(27)20-15-24-26(17-20)21-8-6-5-7-9-21/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,23,27)/p+1