N,N-diethyl-4-[(E)-2-(3-ethyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline iodide

Systemtic Name: N,N-diethyl-4-[(E)-2-(3-ethyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline iodide Openeye Name: N,N-diethyl-4-[(E)-2-(3-ethyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)vinyl]aniline iodide CAS Name: N,N-diethyl-4-[(E)-2-(3-ethyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline iodide IUPAC Name: N,N-diethyl-4-[(E)-2-(3-ethyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline iodide Traditional Name: diethyl-[4-[(E)-2-(3-ethyl-2,3-dihydro-1,3-benzothiazol-3-ium-2-yl)vinyl]phenyl]amine iodide Formula: C21H27IN2S MolecularWeight: 466.42195

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(CC)CC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2S.HI/c1-4-22(5-2)18-14-11-17(12-15-18)13-16-21-23(6-3)19-9-7-8-10-20(19)24-21;/h7-16,21H,4-6H2,1-3H3;1H/b16-13+;