[(3S)-3,7-dimethyloctyl] 2-(1-methylpiperidin-1-ium-1-yl)ethanoate

Systemtic Name: [(3S)-3,7-dimethyloctyl] 2-(1-methylpiperidin-1-ium-1-yl)ethanoate Openeye Name: [(3S)-3,7-dimethyloctyl] 2-(1-methylpiperidin-1-ium-1-yl)acetate CAS Name: 2-(1-methyl-1-piperidin-1-iumyl)acetic acid [(3S)-3,7-dimethyloctyl] ester IUPAC Name: [(3S)-3,7-dimethyloctyl] 2-(1-methylpiperidin-1-ium-1-yl)acetate Traditional Name: 2-(1-methylpiperidin-1-ium-1-yl)acetic acid [(3S)-3,7-dimethyloctyl] ester Formula: C18H36NO2+ MolecularWeight: 298.48394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCOC(=O)C[N+]1(CCCCC1)C

Isomeric SMILES

C[C@@H](CCCC(C)C)CCOC(=O)C[N+]1(CCCCC1)C

InChI

InChI=1S/C18H36NO2/c1-16(2)9-8-10-17(3)11-14-21-18(20)15-19(4)12-6-5-7-13-19/h16-17H,5-15H2,1-4H3/q+1/t17-/m0/s1