tert-butyl 1-(chloromethyl)benzimidazol-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(chloromethyl)benzimidazol-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(chloromethyl)benzimidazol-1-ium-1-carboxylate CAS Name: 1-(chloromethyl)-1-benzimidazol-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(chloromethyl)benzimidazol-1-ium-1-carboxylate Traditional Name: 1-(chloromethyl)benzimidazol-1-ium-1-carboxylic acid tert-butyl ester Formula: C13H16ClN2O2+ MolecularWeight: 267.73134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(C=NC2=CC=CC=C21)CCl

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(C=NC2=CC=CC=C21)CCl

InChI

InChI=1S/C13H16ClN2O2/c1-13(2,3)18-12(17)16(8-14)9-15-10-6-4-5-7-11(10)16/h4-7,9H,8H2,1-3H3/q+1