[(3S)-3,7-dimethyloctyl] 2-piperidin-1-ium-1-ylethanoate

Systemtic Name: [(3S)-3,7-dimethyloctyl] 2-piperidin-1-ium-1-ylethanoate Openeye Name: [(3S)-3,7-dimethyloctyl] 2-piperidin-1-ium-1-ylacetate CAS Name: 2-(1-piperidin-1-iumyl)acetic acid [(3S)-3,7-dimethyloctyl] ester IUPAC Name: [(3S)-3,7-dimethyloctyl] 2-piperidin-1-ium-1-ylacetate Traditional Name: 2-piperidin-1-ium-1-ylacetic acid [(3S)-3,7-dimethyloctyl] ester Formula: C17H34NO2+ MolecularWeight: 284.45736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H33NO2/c1-15(2)8-7-9-16(3)10-13-20-17(19)14-18-11-5-4-6-12-18/h15-16H,4-14H2,1-3H3/p+1/t16-/m0/s1