2-[2,5-bis(azanyl)-4-nitro-phenyl]sulfanylethyl-trimethyl-azanium

Systemtic Name: 2-[2,5-bis(azanyl)-4-nitro-phenyl]sulfanylethyl-trimethyl-azanium Openeye Name: 2-(2,5-diamino-4-nitro-phenyl)sulfanylethyl-trimethyl-ammonium CAS Name: 2-[(2,5-diamino-4-nitrophenyl)thio]ethyl-trimethylammonium IUPAC Name: 2-(2,5-diamino-4-nitrophenyl)sulfanylethyl-trimethylazanium Traditional Name: 2-[(2,5-diamino-4-nitro-phenyl)thio]ethyl-trimethyl-ammonium Formula: C11H19N4O2S+ MolecularWeight: 271.35916

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCSC1=CC(=C(C=C1N)[N+](=O)[O-])N

Isomeric SMILES

C[N+](C)(C)CCSC1=CC(=C(C=C1N)[N+](=O)[O-])N

InChI

InChI=1S/C11H19N4O2S/c1-15(2,3)4-5-18-11-7-8(12)10(14(16)17)6-9(11)13/h6-7H,4-5,12-13H2,1-3H3/q+1