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

Systemtic Name: decyl 1-(1,3-thiazol-4-yl)benzimidazol-1-ium-1-carboxylate Openeye Name: decyl 1-thiazol-4-ylbenzimidazol-1-ium-1-carboxylate CAS Name: 1-(4-thiazolyl)-1-benzimidazol-1-iumcarboxylic acid decyl ester IUPAC Name: decyl 1-(1,3-thiazol-4-yl)benzimidazol-1-ium-1-carboxylate Traditional Name: 1-thiazol-4-ylbenzimidazol-1-ium-1-carboxylic acid decyl ester Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N3O2S/c1-2-3-4-5-6-7-8-11-14-26-21(25)24(20-15-27-17-23-20)16-22-18-12-9-10-13-19(18)24/h9-10,12-13,15-17H,2-8,11,14H2,1H3/q+1