2-[4-[(1-azanyl-2-butyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(1-azanyl-2-butyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(1-amino-2-butyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(1-amino-2-butyl-1-benzimidazol-1-iumyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(1-amino-2-butylbenzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(1-amino-2-butyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N

InChI

InChI=1S/C25H25N3O2/c1-2-3-12-24-27-22-10-6-7-11-23(22)28(24,26)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25(29)30/h4-11,13-16H,2-3,12,17,26H2,1H3/p+1