2-[(3-nitrophenyl)methylsulfanyl]ethylazanium

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]ethylazanium Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]ethylammonium CAS Name: 2-[(3-nitrophenyl)methylthio]ethylammonium IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]ethylazanium Traditional Name: 2-[(3-nitrobenzyl)thio]ethylammonium Formula: C9H13N2O2S+ MolecularWeight: 213.27672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSCC[NH3+]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSCC[NH3+]

InChI

InChI=1S/C9H12N2O2S/c10-4-5-14-7-8-2-1-3-9(6-8)11(12)13/h1-3,6H,4-5,7,10H2/p+1