[1-(1-methylpiperidin-1-ium-1-yl)-3-piperidin-1-yl-propan-2-yl] octadecanoate iodide

Systemtic Name: [1-(1-methylpiperidin-1-ium-1-yl)-3-piperidin-1-yl-propan-2-yl] octadecanoate iodide Openeye Name: [1-[(1-methylpiperidin-1-ium-1-yl)methyl]-2-(1-piperidyl)ethyl] octadecanoate iodide CAS Name: octadecanoic acid [1-(1-methyl-1-piperidin-1-iumyl)-3-(1-piperidinyl)propan-2-yl] ester iodide IUPAC Name: [1-(1-methylpiperidin-1-ium-1-yl)-3-piperidin-1-ylpropan-2-yl] octadecanoate iodide Traditional Name: stearic acid [1-[(1-methylpiperidin-1-ium-1-yl)methyl]-2-piperidino-ethyl] ester iodide Formula: C32H63IN2O2 MolecularWeight: 634.75929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CN1CCCCC1)C[N+]2(CCCCC2)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CN1CCCCC1)C[N+]2(CCCCC2)C.[I-]

InChI

InChI=1S/C32H63N2O2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-32(35)36-31(29-33-25-20-17-21-26-33)30-34(2)27-22-18-23-28-34;/h31H,3-30H2,1-2H3;1H/q+1;/p-1