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

Systemtic Name: decyl 2-[1-(1-oxidanyl-3-phenyl-propan-2-yl)piperidin-1-ium-1-yl]ethanoate chloride Openeye Name: decyl 2-[1-(1-benzyl-2-hydroxy-ethyl)piperidin-1-ium-1-yl]acetate chloride CAS Name: 2-[1-(1-hydroxy-3-phenylpropan-2-yl)-1-piperidin-1-iumyl]acetic acid decyl ester chloride IUPAC Name: decyl 2-[1-(1-hydroxy-3-phenylpropan-2-yl)piperidin-1-ium-1-yl]acetate chloride Traditional Name: 2-[1-(1-benzyl-2-hydroxy-ethyl)piperidin-1-ium-1-yl]acetic acid decyl ester chloride Formula: C26H44ClNO3 MolecularWeight: 454.08546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44NO3.ClH/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;1H/q+1;/p-1