[(1S,5S)-3,3,5-trimethylcyclohexyl] 2-piperidin-1-ium-1-ylethanoate

Systemtic Name: [(1S,5S)-3,3,5-trimethylcyclohexyl] 2-piperidin-1-ium-1-ylethanoate Openeye Name: [(1S,5S)-3,3,5-trimethylcyclohexyl] 2-piperidin-1-ium-1-ylacetate CAS Name: 2-(1-piperidin-1-iumyl)acetic acid [(1S,5S)-3,3,5-trimethylcyclohexyl] ester IUPAC Name: [(1S,5S)-3,3,5-trimethylcyclohexyl] 2-piperidin-1-ium-1-ylacetate Traditional Name: 2-piperidin-1-ium-1-ylacetic acid [(1S,5S)-3,3,5-trimethylcyclohexyl] ester Formula: C16H30NO2+ MolecularWeight: 268.4149

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OC(=O)C[NH+]2CCCCC2

Isomeric SMILES

C[C@@H]1C[C@@H](CC(C1)(C)C)OC(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C16H29NO2/c1-13-9-14(11-16(2,3)10-13)19-15(18)12-17-7-5-4-6-8-17/h13-14H,4-12H2,1-3H3/p+1/t13-,14+/m1/s1