[azanyl-[(3-nitrophenyl)methylsulfanyl]methylidene]-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: [azanyl-[(3-nitrophenyl)methylsulfanyl]methylidene]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: [amino-[(3-nitrophenyl)methylsulfanyl]methylene]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: [amino-[(3-nitrophenyl)methylthio]methylidene]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: [amino-[(3-nitrophenyl)methylsulfanyl]methylidene]-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: [amino-[(3-nitrobenzyl)thio]methylene]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+]=C(N)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)C[NH+]=C(N)SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3S/c14-13(15-8-12-5-2-6-19-12)20-9-10-3-1-4-11(7-10)16(17)18/h1,3-4,7,12H,2,5-6,8-9H2,(H2,14,15)/p+1/t12-/m1/s1