dimethyl-[(1S)-2-[2-(4-nitrophenyl)sulfanylethanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[2-(4-nitrophenyl)sulfanylethanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[2-[(4-nitrophenyl)thio]acetyl]amino]-1-phenyl-ethyl]ammonium Formula: C18H22N3O3S+ MolecularWeight: 360.45058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O3S/c1-20(2)17(14-6-4-3-5-7-14)12-19-18(22)13-25-16-10-8-15(9-11-16)21(23)24/h3-11,17H,12-13H2,1-2H3,(H,19,22)/p+1/t17-/m1/s1