N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide

Systemtic Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide Openeye Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide iodide CAS Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide IUPAC Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide Traditional Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide iodide Formula: C19H19IN2OS MolecularWeight: 450.33643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N2OS.HI/c1-3-20-17-11-7-8-12-18(17)23-19(20)13-14-21(15(2)22)16-9-5-4-6-10-16;/h4-14H,3H2,1-2H3;1H/q+1;/p-1