[(1R)-1-(furan-2-yl)-2-[(3-nitro-4-phenylsulfanyl-phenyl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(furan-2-yl)-2-[(3-nitro-4-phenylsulfanyl-phenyl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(2-furyl)-2-[(3-nitro-4-phenylsulfanyl-benzoyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(2-furanyl)-2-[[[3-nitro-4-(phenylthio)phenyl]-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(furan-2-yl)-2-[(3-nitro-4-phenylsulfanylbenzoyl)amino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(2-furyl)-2-[[3-nitro-4-(phenylthio)benzoyl]amino]ethyl]-dimethyl-ammonium Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C21H21N3O4S/c1-23(2)18(19-9-6-12-28-19)14-22-21(25)15-10-11-20(17(13-15)24(26)27)29-16-7-4-3-5-8-16/h3-13,18H,14H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1