(2-chloranyl-5-nitro-phenyl)methyl-methyl-[(2-sulfanylidene-1,3-oxazolidin-3-yl)methyl]azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-methyl-[(2-sulfanylidene-1,3-oxazolidin-3-yl)methyl]azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-methyl-[(2-thioxooxazolidin-3-yl)methyl]ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-methyl-[(2-sulfanylidene-3-oxazolidinyl)methyl]ammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-methyl-[(2-sulfanylidene-1,3-oxazolidin-3-yl)methyl]azanium Traditional Name: (2-chloro-5-nitro-benzyl)-methyl-[(2-thioxooxazolidin-3-yl)methyl]ammonium Formula: C12H15ClN3O3S+ MolecularWeight: 316.7838

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CN2CCOC2=S

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CN2CCOC2=S

InChI

InChI=1S/C12H14ClN3O3S/c1-14(8-15-4-5-19-12(15)20)7-9-6-10(16(17)18)2-3-11(9)13/h2-3,6H,4-5,7-8H2,1H3/p+1