2-(4-methylmorpholin-4-ium-4-yl)ethyl 15-phenylpentadecanoate

Systemtic Name: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 15-phenylpentadecanoate Openeye Name: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 15-phenylpentadecanoate CAS Name: 15-phenylpentadecanoic acid 2-(4-methyl-4-morpholin-4-iumyl)ethyl ester IUPAC Name: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 15-phenylpentadecanoate Traditional Name: 15-phenylpentadecanoic acid 2-(4-methylmorpholin-4-ium-4-yl)ethyl ester Formula: C28H48NO3+ MolecularWeight: 446.68562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCOC(=O)CCCCCCCCCCCCCCC2=CC=CC=C2

Isomeric SMILES

C[N+]1(CCOCC1)CCOC(=O)CCCCCCCCCCCCCCC2=CC=CC=C2

InChI

InChI=1S/C28H48NO3/c1-29(21-24-31-25-22-29)23-26-32-28(30)20-16-11-9-7-5-3-2-4-6-8-10-13-17-27-18-14-12-15-19-27/h12,14-15,18-19H,2-11,13,16-17,20-26H2,1H3/q+1