2-butyl-1-(4-carboxyphenyl)-1H-benzimidazol-1-ium-5-carboxylic acid chloride

Systemtic Name: 2-butyl-1-(4-carboxyphenyl)-1H-benzimidazol-1-ium-5-carboxylic acid chloride Openeye Name: 2-butyl-1-(4-carboxyphenyl)-1H-benzimidazol-1-ium-5-carboxylic acid chloride CAS Name: 2-butyl-1-(4-carboxyphenyl)-1H-benzimidazol-1-ium-5-carboxylic acid chloride IUPAC Name: 2-butyl-1-(4-carboxyphenyl)-1H-benzimidazol-1-ium-5-carboxylic acid chloride Traditional Name: 2-butyl-1-(4-carboxyphenyl)-1H-benzimidazol-1-ium-5-carboxylic acid chloride Formula: C19H19ClN2O4 MolecularWeight: 374.81816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C([NH+]1C3=CC=C(C=C3)C(=O)O)C=CC(=C2)C(=O)O.[Cl-]

Isomeric SMILES

CCCCC1=NC2=C([NH+]1C3=CC=C(C=C3)C(=O)O)C=CC(=C2)C(=O)O.[Cl-]

InChI

InChI=1S/C19H18N2O4.ClH/c1-2-3-4-17-20-15-11-13(19(24)25)7-10-16(15)21(17)14-8-5-12(6-9-14)18(22)23;/h5-11H,2-4H2,1H3,(H,22,23)(H,24,25);1H