N-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-methyl-aniline iodide

Systemtic Name: N-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-methyl-aniline iodide Openeye Name: N-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-methyl-aniline iodide CAS Name: N-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-methylaniline iodide IUPAC Name: N-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-methylaniline iodide Traditional Name: [(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-methyl-phenyl-amine iodide Formula: C20H21IN2S MolecularWeight: 448.36361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N2S.HI/c1-3-22-18-13-7-8-14-19(18)23-20(22)15-9-10-16-21(2)17-11-5-4-6-12-17;/h4-16H,3H2,1-2H3;1H/q+1;/p-1