decyl 2-[1-(1-oxidanyl-3-phenyl-propan-2-yl)piperidin-1-ium-1-yl]ethanoate

Systemtic Name: decyl 2-[1-(1-oxidanyl-3-phenyl-propan-2-yl)piperidin-1-ium-1-yl]ethanoate Openeye Name: decyl 2-[1-(1-benzyl-2-hydroxy-ethyl)piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-(1-hydroxy-3-phenylpropan-2-yl)-1-piperidin-1-iumyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-(1-hydroxy-3-phenylpropan-2-yl)piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-(1-benzyl-2-hydroxy-ethyl)piperidin-1-ium-1-yl]acetic acid decyl ester Formula: C26H44NO3+ MolecularWeight: 418.63246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C(CC2=CC=CC=C2)CO

Isomeric SMILES

CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C(CC2=CC=CC=C2)CO

InChI

InChI=1S/C26H44NO3/c1-2-3-4-5-6-7-8-15-20-30-26(29)22-27(18-13-10-14-19-27)25(23-28)21-24-16-11-9-12-17-24/h9,11-12,16-17,25,28H,2-8,10,13-15,18-23H2,1H3/q+1