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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

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