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

Systemtic Name: 4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-N,N-dimethyl-aniline iodide Openeye Name: 4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methyleneamino]-N,N-dimethyl-aniline iodide CAS Name: 4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-N,N-dimethylaniline iodide IUPAC Name: 4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-N,N-dimethylaniline iodide Traditional Name: [4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methyleneamino]phenyl]-dimethyl-amine iodide Formula: C18H20IN3S MolecularWeight: 437.34097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N3S.HI/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;/h5-13H,4H2,1-3H3;1H/q+1;/p-1