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

Systemtic Name: N-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide Openeye Name: N-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide iodide CAS Name: N-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide IUPAC Name: N-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide Traditional Name: N-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide iodide Formula: C18H17IN2OS MolecularWeight: 436.30985

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C=CC1=[N+](C2=CC=CC=C2S1)C)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC(=O)N(C=CC1=[N+](C2=CC=CC=C2S1)C)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C18H17N2OS.HI/c1-14(21)20(15-8-4-3-5-9-15)13-12-18-19(2)16-10-6-7-11-17(16)22-18;/h3-13H,1-2H3;1H/q+1;/p-1