2-[2-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[3-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]benzimidazol-1-yl]acetate Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3CC(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCOC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3CC(=O)[O-]

InChI

InChI=1S/C21H23N3O4/c25-20(26)15-24-19-7-2-1-6-18(19)22-21(24)16-4-3-5-17(14-16)28-13-10-23-8-11-27-12-9-23/h1-7,14H,8-13,15H2,(H,25,26)