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

Systemtic Name: 2-[2-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[3-methoxy-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]benzimidazol-1-yl]acetate Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCCC2)C3=NC4=CC=CC=C4N3CC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCC2)C3=NC4=CC=CC=C4N3CC(=O)[O-]

InChI

InChI=1S/C22H25N3O4/c1-28-19-10-6-7-16(21(19)29-14-13-24-11-4-5-12-24)22-23-17-8-2-3-9-18(17)25(22)15-20(26)27/h2-3,6-10H,4-5,11-15H2,1H3,(H,26,27)