2-[2-hydroxyethyl-[4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]amino]ethyl-trimethyl-azanium

Systemtic Name: 2-[2-hydroxyethyl-[4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]amino]ethyl-trimethyl-azanium Openeye Name: 2-[N-(2-hydroxyethyl)-4-(5-nitrothiazol-2-yl)azo-anilino]ethyl-trimethyl-ammonium CAS Name: 2-[N-(2-hydroxyethyl)-4-[(5-nitro-2-thiazolyl)azo]anilino]ethyl-trimethylammonium IUPAC Name: 2-[N-(2-hydroxyethyl)-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]ethyl-trimethylazanium Traditional Name: 2-[N-(2-hydroxyethyl)-4-(5-nitrothiazol-2-yl)azo-anilino]ethyl-trimethyl-ammonium Formula: C16H23N6O3S+ MolecularWeight: 379.45722

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCN(CCO)C1=CC=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCN(CCO)C1=CC=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N6O3S/c1-22(2,3)10-8-20(9-11-23)14-6-4-13(5-7-14)18-19-16-17-12-15(26-16)21(24)25/h4-7,12,23H,8-11H2,1-3H3/q+1