diethyl-[(1S)-1-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[1-oxo-3-(1-phenyl-4-pyrazolyl)propyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-1-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]azanium Traditional Name: diethyl-[(1S)-1-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]ammonium Formula: C24H31N4O+ MolecularWeight: 391.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)CCC1=CN(N=C1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)CCC1=CN(N=C1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H30N4O/c1-3-27(4-2)23(21-11-7-5-8-12-21)18-25-24(29)16-15-20-17-26-28(19-20)22-13-9-6-10-14-22/h5-14,17,19,23H,3-4,15-16,18H2,1-2H3,(H,25,29)/p+1/t23-/m1/s1