diethyl-[[2-[[[1-(phenylmethyl)pyrazol-4-yl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[[1-(phenylmethyl)pyrazol-4-yl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: [2-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: diethyl-[[2-[[[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: [2-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]benzyl]-diethyl-ammonium Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O/c1-3-26(4-2)17-21-13-9-8-12-20(21)14-24-23(28)22-15-25-27(18-22)16-19-10-6-5-7-11-19/h5-13,15,18H,3-4,14,16-17H2,1-2H3,(H,24,28)/p+1