4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-N,N-dimethyl-aniline; ethyl sulfate

Systemtic Name: 4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-N,N-dimethyl-aniline; ethyl sulfate Openeye Name: 4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methyleneamino]-N,N-dimethyl-aniline; ethyl sulfate CAS Name: 4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-N,N-dimethylaniline; ethyl sulfate IUPAC Name: 4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-N,N-dimethylaniline; ethyl sulfate Traditional Name: [4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methyleneamino]phenyl]-dimethyl-amine; ethyl sulfate Formula: C20H25N3O4S2 MolecularWeight: 435.5602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=NC3=CC=C(C=C3)N(C)C.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)C=NC3=CC=C(C=C3)N(C)C.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C18H20N3S.C2H6O4S/c1-4-21-16-7-5-6-8-17(16)22-18(21)13-19-14-9-11-15(12-10-14)20(2)3;1-2-6-7(3,4)5/h5-13H,4H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1