2-[2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]benzimidazol-1-yl]acetate Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3CC(=O)[O-]

InChI

InChI=1S/C21H23N3O3/c25-20(26)15-24-19-9-2-1-8-18(19)22-21(24)16-6-5-7-17(14-16)27-13-12-23-10-3-4-11-23/h1-2,5-9,14H,3-4,10-13,15H2,(H,25,26)