2-(1-phenylmethoxypiperidin-1-ium-1-yl)hexanoic acid

Systemtic Name: 2-(1-phenylmethoxypiperidin-1-ium-1-yl)hexanoic acid Openeye Name: 2-(1-benzyloxypiperidin-1-ium-1-yl)hexanoic acid CAS Name: 2-(1-phenylmethoxy-1-piperidin-1-iumyl)hexanoic acid IUPAC Name: 2-(1-phenylmethoxypiperidin-1-ium-1-yl)hexanoic acid Traditional Name: 2-(1-benzoxypiperidin-1-ium-1-yl)hexanoic acid Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)[N+]1(CCCCC1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)O)[N+]1(CCCCC1)OCC2=CC=CC=C2

InChI

InChI=1S/C18H27NO3/c1-2-3-12-17(18(20)21)19(13-8-5-9-14-19)22-15-16-10-6-4-7-11-16/h4,6-7,10-11,17H,2-3,5,8-9,12-15H2,1H3/p+1