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

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-3-(1-phenyl-4-pyrazolyl)propyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-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)C(CNC(=O)CCC1=CN(N=C1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O/c1-25(2)21(19-9-5-3-6-10-19)16-23-22(27)14-13-18-15-24-26(17-18)20-11-7-4-8-12-20/h3-12,15,17,21H,13-14,16H2,1-2H3,(H,23,27)/p+1/t21-/m1/s1