dimethyl-[(1S)-2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(4-methylsulfanyl-3-nitro-benzoyl)amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(4-methylsulfanyl-3-nitrobenzoyl)amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[4-(methylthio)-3-nitro-benzoyl]amino]-1-phenyl-ethyl]ammonium Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-20(2)16(13-7-5-4-6-8-13)12-19-18(22)14-9-10-17(25-3)15(11-14)21(23)24/h4-11,16H,12H2,1-3H3,(H,19,22)/p+1/t16-/m1/s1