2-butyl-1-chloranyl-3-methyl-3-phenyl-7-[2-(2H-1,2,3,4-tetrazol-5-yl)pyrrol-1-yl]-2H-benzimidazol-3-ium-4-carboxylic acid

Systemtic Name: 2-butyl-1-chloranyl-3-methyl-3-phenyl-7-[2-(2H-1,2,3,4-tetrazol-5-yl)pyrrol-1-yl]-2H-benzimidazol-3-ium-4-carboxylic acid Openeye Name: 2-butyl-1-chloro-3-methyl-3-phenyl-7-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]-2H-benzimidazol-3-ium-4-carboxylic acid CAS Name: 2-butyl-1-chloro-3-methyl-3-phenyl-7-[2-(2H-tetrazol-5-yl)-1-pyrrolyl]-2H-benzimidazol-3-ium-4-carboxylic acid IUPAC Name: 2-butyl-1-chloro-3-methyl-3-phenyl-7-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]-2H-benzimidazol-3-ium-4-carboxylic acid Traditional Name: 2-butyl-1-chloro-3-methyl-3-phenyl-7-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]-2H-benzimidazol-3-ium-4-carboxylic acid Formula: C24H25ClN7O2+ MolecularWeight: 478.954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C2=C(C=CC(=C2[N+]1(C)C3=CC=CC=C3)C(=O)O)N4C=CC=C4C5=NNN=N5)Cl

Isomeric SMILES

CCCCC1N(C2=C(C=CC(=C2[N+]1(C)C3=CC=CC=C3)C(=O)O)N4C=CC=C4C5=NNN=N5)Cl

InChI

InChI=1S/C24H24ClN7O2/c1-3-4-12-20-31(25)21-18(30-15-8-11-19(30)23-26-28-29-27-23)14-13-17(24(33)34)22(21)32(20,2)16-9-6-5-7-10-16/h5-11,13-15,20H,3-4,12H2,1-2H3,(H-,26,27,28,29,33,34)/p+1