2-(3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-yl)-2,3-dihydro-1,3-benzothiazole iodide

Systemtic Name: 2-(3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-yl)-2,3-dihydro-1,3-benzothiazole iodide Openeye Name: 2-(3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-yl)-2,3-dihydro-1,3-benzothiazole iodide CAS Name: 2-(3-ethyl-2-methyl-1-phenyl-5-benzimidazol-3-iumyl)-2,3-dihydro-1,3-benzothiazole iodide IUPAC Name: 2-(3-ethyl-2-methyl-1-phenylbenzimidazol-3-ium-5-yl)-2,3-dihydro-1,3-benzothiazole iodide Traditional Name: 2-(3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-yl)-2,3-dihydro-1,3-benzothiazole iodide Formula: C23H22IN3S MolecularWeight: 499.41035

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=C(C=C2)C3NC4=CC=CC=C4S3)C5=CC=CC=C5)C.[I-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=C(C=C2)C3NC4=CC=CC=C4S3)C5=CC=CC=C5)C.[I-]

InChI

InChI=1S/C23H22N3S.HI/c1-3-25-16(2)26(18-9-5-4-6-10-18)20-14-13-17(15-21(20)25)23-24-19-11-7-8-12-22(19)27-23;/h4-15,23-24H,3H2,1-2H3;1H/q+1;/p-1