2-[1-(octadecoxymethyl)piperidin-1-ium-1-yl]propanoate

Systemtic Name: 2-[1-(octadecoxymethyl)piperidin-1-ium-1-yl]propanoate Openeye Name: 2-[1-(octadecoxymethyl)piperidin-1-ium-1-yl]propanoate CAS Name: 2-[1-(octadecoxymethyl)-1-piperidin-1-iumyl]propanoate IUPAC Name: 2-[1-(octadecoxymethyl)piperidin-1-ium-1-yl]propanoate Traditional Name: 2-[1-(stearyloxymethyl)piperidin-1-ium-1-yl]propionate Formula: C27H53NO3 MolecularWeight: 439.71462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC[N+]1(CCCCC1)C(C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[N+]1(CCCCC1)C(C)C(=O)[O-]

InChI

InChI=1S/C27H53NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-25-28(26(2)27(29)30)22-19-18-20-23-28/h26H,3-25H2,1-2H3