1,3-bis(1-methylpiperidin-1-ium-1-yl)propan-2-yl octadecanoate

Systemtic Name: 1,3-bis(1-methylpiperidin-1-ium-1-yl)propan-2-yl octadecanoate Openeye Name: [2-(1-methylpiperidin-1-ium-1-yl)-1-[(1-methylpiperidin-1-ium-1-yl)methyl]ethyl] octadecanoate CAS Name: octadecanoic acid 1,3-bis(1-methyl-1-piperidin-1-iumyl)propan-2-yl ester IUPAC Name: 1,3-bis(1-methylpiperidin-1-ium-1-yl)propan-2-yl octadecanoate Traditional Name: stearic acid [2-(1-methylpiperidin-1-ium-1-yl)-1-[(1-methylpiperidin-1-ium-1-yl)methyl]ethyl] ester Formula: C33H66N2O2+2 MolecularWeight: 522.88934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C[N+]1(CCCCC1)C)C[N+]2(CCCCC2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C[N+]1(CCCCC1)C)C[N+]2(CCCCC2)C

InChI

InChI=1S/C33H66N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-33(36)37-32(30-34(2)26-21-18-22-27-34)31-35(3)28-23-19-24-29-35/h32H,4-31H2,1-3H3/q+2