2-[1-(2-ethylhexyl)-3-methyl-benzimidazol-3-ium-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-(2-ethylhexyl)-3-methyl-benzimidazol-3-ium-2-yl]-1,3-benzothiazole Openeye Name: 2-[1-(2-ethylhexyl)-3-methyl-benzimidazol-3-ium-2-yl]-1,3-benzothiazole CAS Name: 2-[1-(2-ethylhexyl)-3-methyl-2-benzimidazol-3-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-(2-ethylhexyl)-3-methylbenzimidazol-3-ium-2-yl]-1,3-benzothiazole Traditional Name: 2-[1-(2-ethylhexyl)-3-methyl-benzimidazol-3-ium-2-yl]-1,3-benzothiazole Formula: C23H28N3S+ MolecularWeight: 378.55352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C2=CC=CC=C2[N+](=C1C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCCCC(CC)CN1C2=CC=CC=C2[N+](=C1C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H28N3S/c1-4-6-11-17(5-2)16-26-20-14-9-8-13-19(20)25(3)23(26)22-24-18-12-7-10-15-21(18)27-22/h7-10,12-15,17H,4-6,11,16H2,1-3H3/q+1