6-bromanyl-5-chloranyl-1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-3-ium iodide

Systemtic Name: 6-bromanyl-5-chloranyl-1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-3-ium iodide Openeye Name: 6-bromo-5-chloro-1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-3-ium iodide CAS Name: 6-bromo-5-chloro-1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-3-ium iodide IUPAC Name: 6-bromo-5-chloro-1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-3-ium iodide Traditional Name: 6-bromo-5-chloro-1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-3-ium iodide Formula: C18H19BrClIN2O MolecularWeight: 521.61773

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=CC(=C(C=C21)Br)Cl)CCOC3=CC=CC=C3)C.[I-]

Isomeric SMILES

CCN1C(=[N+](C2=CC(=C(C=C21)Br)Cl)CCOC3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C18H19BrClN2O.HI/c1-3-21-13(2)22(9-10-23-14-7-5-4-6-8-14)18-12-16(20)15(19)11-17(18)21;/h4-8,11-12H,3,9-10H2,1-2H3;1H/q+1;/p-1