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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-20(2)12-17(14-6-4-3-5-7-14)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