[2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-2-adamantyl] ethanoate

Systemtic Name: [2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-2-adamantyl] ethanoate Openeye Name: [2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-2-adamantyl] acetate CAS Name: acetic acid [2-[3-(1-methyl-1-piperidin-1-iumyl)propyl]-2-adamantyl] ester IUPAC Name: [2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-2-adamantyl] acetate Traditional Name: acetic acid [2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-2-adamantyl] ester Formula: C21H36NO2+ MolecularWeight: 334.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(C2CC3CC(C2)CC1C3)CCC[N+]4(CCCCC4)C

Isomeric SMILES

CC(=O)OC1(C2CC3CC(C2)CC1C3)CCC[N+]4(CCCCC4)C

InChI

InChI=1S/C21H36NO2/c1-16(23)24-21(7-6-10-22(2)8-4-3-5-9-22)19-12-17-11-18(14-19)15-20(21)13-17/h17-20H,3-15H2,1-2H3/q+1