dimethyl-[(2R)-2-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]azanium

Systemtic Name: dimethyl-[(2R)-2-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]azanium Openeye Name: dimethyl-[(2R)-2-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]ammonium CAS Name: dimethyl-[(2R)-2-[[1-oxo-3-(1-phenyl-4-pyrazolyl)propyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2R)-2-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]azanium Traditional Name: dimethyl-[(2R)-2-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](C)C[C@@H](C1=CC=CC=C1)NC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O/c1-25(2)17-21(19-9-5-3-6-10-19)24-22(27)14-13-18-15-23-26(16-18)20-11-7-4-8-12-20/h3-12,15-16,21H,13-14,17H2,1-2H3,(H,24,27)/p+1/t21-/m0/s1