undecyl 1-(1,3-thiazol-4-yl)benzimidazol-1-ium-1-carboxylate

Systemtic Name: undecyl 1-(1,3-thiazol-4-yl)benzimidazol-1-ium-1-carboxylate Openeye Name: undecyl 1-thiazol-4-ylbenzimidazol-1-ium-1-carboxylate CAS Name: 1-(4-thiazolyl)-1-benzimidazol-1-iumcarboxylic acid undecyl ester IUPAC Name: undecyl 1-(1,3-thiazol-4-yl)benzimidazol-1-ium-1-carboxylate Traditional Name: 1-thiazol-4-ylbenzimidazol-1-ium-1-carboxylic acid undecyl ester Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)[N+]1(C=NC2=CC=CC=C21)C3=CSC=N3

Isomeric SMILES

CCCCCCCCCCCOC(=O)[N+]1(C=NC2=CC=CC=C21)C3=CSC=N3

InChI

InChI=1S/C22H30N3O2S/c1-2-3-4-5-6-7-8-9-12-15-27-22(26)25(21-16-28-18-24-21)17-23-19-13-10-11-14-20(19)25/h10-11,13-14,16-18H,2-9,12,15H2,1H3/q+1