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

Systemtic Name: 6-bromanyl-5-chloranyl-1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-3-ium Openeye Name: 6-bromo-5-chloro-1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-3-ium CAS Name: 6-bromo-5-chloro-1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-3-ium IUPAC Name: 6-bromo-5-chloro-1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-3-ium Traditional Name: 6-bromo-5-chloro-1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-3-ium Formula: C18H19BrClN2O+ MolecularWeight: 394.71326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrClN2O/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/q+1