diethyl-[[4-[[3-(1-phenylpyrazol-4-yl)propanoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[3-(1-phenylpyrazol-4-yl)propanoylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[3-(1-phenylpyrazol-4-yl)propanoylamino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[1-oxo-3-(1-phenyl-4-pyrazolyl)propyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[3-(1-phenylpyrazol-4-yl)propanoylamino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[3-(1-phenylpyrazol-4-yl)propanoylamino]methyl]benzyl]ammonium Formula: C24H31N4O+ MolecularWeight: 391.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H30N4O/c1-3-27(4-2)18-21-12-10-20(11-13-21)16-25-24(29)15-14-22-17-26-28(19-22)23-8-6-5-7-9-23/h5-13,17,19H,3-4,14-16,18H2,1-2H3,(H,25,29)/p+1