2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-(2-hydroxyethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-(2-hydroxyethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-(2-hydroxyethyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-(2-hydroxyethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-(2-hydroxyethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-(2-hydroxyethyl)amino]ethyl-dimethyl-ammonium Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CCO)C1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

C[NH+](C)CCN(CCO)C1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C13H19N3O3S/c1-15(2)7-8-16(9-10-17)13-11-5-3-4-6-12(11)20(18,19)14-13/h3-6,17H,7-10H2,1-2H3/p+1