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

Systemtic Name: 2-[2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]benzimidazol-1-yl]acetate Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3CC(=O)[O-]

InChI

InChI=1S/C22H25N3O3/c26-21(27)16-25-20-10-3-2-9-19(20)23-22(25)17-7-6-8-18(15-17)28-14-13-24-11-4-1-5-12-24/h2-3,6-10,15H,1,4-5,11-14,16H2,(H,26,27)