2-(1-phenylmethoxypiperidin-1-ium-1-yl)hexanoate hydrochloride

Systemtic Name: 2-(1-phenylmethoxypiperidin-1-ium-1-yl)hexanoate hydrochloride Openeye Name: 2-(1-benzyloxypiperidin-1-ium-1-yl)hexanoate hydrochloride CAS Name: 2-(1-phenylmethoxy-1-piperidin-1-iumyl)hexanoate hydrochloride IUPAC Name: 2-(1-phenylmethoxypiperidin-1-ium-1-yl)hexanoate hydrochloride Traditional Name: 2-(1-benzoxypiperidin-1-ium-1-yl)hexanoate hydrochloride Formula: C18H28ClNO3 MolecularWeight: 341.87282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3.ClH/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;1H