N-(1,3-benzothiazol-2-yl)-2-(3-methylbenzimidazol-3-ium-1-yl)ethanamide iodide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3-methylbenzimidazol-3-ium-1-yl)ethanamide iodide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(3-methylbenzimidazol-3-ium-1-yl)acetamide iodide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(3-methyl-1-benzimidazol-3-iumyl)acetamide iodide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3-methylbenzimidazol-3-ium-1-yl)acetamide iodide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(3-methylbenzimidazol-3-ium-1-yl)acetamide iodide Formula: C17H15IN4OS MolecularWeight: 450.29667

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CC(=O)NC3=NC4=CC=CC=C4S3.[I-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CC(=O)NC3=NC4=CC=CC=C4S3.[I-]

InChI

InChI=1S/C17H14N4OS.HI/c1-20-11-21(14-8-4-3-7-13(14)20)10-16(22)19-17-18-12-6-2-5-9-15(12)23-17;/h2-9,11H,10H2,1H3;1H