N-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenyl-ethanamide iodide

Systemtic Name: N-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenyl-ethanamide iodide Openeye Name: N-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenyl-acetamide iodide CAS Name: N-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide iodide IUPAC Name: N-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide iodide Traditional Name: N-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenyl-acetamide iodide Formula: C20H19IN2OS MolecularWeight: 462.34713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N2OS.HI/c1-16(23)22(17-10-4-3-5-11-17)15-9-8-14-20-21(2)18-12-6-7-13-19(18)24-20;/h3-15H,1-2H3;1H/q+1;/p-1