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

Systemtic Name: nonyl 1-(1,3-thiazol-4-yl)benzimidazol-1-ium-1-carboxylate Openeye Name: nonyl 1-thiazol-4-ylbenzimidazol-1-ium-1-carboxylate CAS Name: 1-(4-thiazolyl)-1-benzimidazol-1-iumcarboxylic acid nonyl ester IUPAC Name: nonyl 1-(1,3-thiazol-4-yl)benzimidazol-1-ium-1-carboxylate Traditional Name: 1-thiazol-4-ylbenzimidazol-1-ium-1-carboxylic acid nonyl ester Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N3O2S/c1-2-3-4-5-6-7-10-13-25-20(24)23(19-14-26-16-22-19)15-21-17-11-8-9-12-18(17)23/h8-9,11-12,14-16H,2-7,10,13H2,1H3/q+1