dimethyl-[(1S)-1-phenyl-2-(2-quinolin-2-ylsulfanylethanoylamino)ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-(2-quinolin-2-ylsulfanylethanoylamino)ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[2-(2-quinolylsulfanyl)acetyl]amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[2-(2-quinolylthio)acetyl]amino]ethyl]ammonium Formula: C21H24N3OS+ MolecularWeight: 366.49976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CSC1=NC2=CC=CC=C2C=C1)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CSC1=NC2=CC=CC=C2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS/c1-24(2)19(17-9-4-3-5-10-17)14-22-20(25)15-26-21-13-12-16-8-6-7-11-18(16)23-21/h3-13,19H,14-15H2,1-2H3,(H,22,25)/p+1/t19-/m1/s1