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

Systemtic Name: [(1R)-1-(4-methoxyphenyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-methoxyphenyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-methoxyphenyl)-2-[[1-oxo-3-(1-phenyl-4-pyrazolyl)propyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-methoxyphenyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-methoxyphenyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]-dimethyl-ammonium Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-26(2)22(19-10-12-21(29-3)13-11-19)16-24-23(28)14-9-18-15-25-27(17-18)20-7-5-4-6-8-20/h4-8,10-13,15,17,22H,9,14,16H2,1-3H3,(H,24,28)/p+1/t22-/m0/s1