dimethyl-[(1S)-1-phenyl-2-(2-quinazolin-4-ylsulfanylethanoylamino)ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-(2-quinazolin-4-ylsulfanylethanoylamino)ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[2-(quinazolin-4-ylthio)acetyl]amino]ethyl]ammonium Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CSC1=NC=NC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CSC1=NC=NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-24(2)18(15-8-4-3-5-9-15)12-21-19(25)13-26-20-16-10-6-7-11-17(16)22-14-23-20/h3-11,14,18H,12-13H2,1-2H3,(H,21,25)/p+1/t18-/m1/s1