(4-tert-butylcyclohexyl) 2-pyrrolidin-1-ium-1-ylethanoate

Systemtic Name: (4-tert-butylcyclohexyl) 2-pyrrolidin-1-ium-1-ylethanoate Openeye Name: (4-tert-butylcyclohexyl) 2-pyrrolidin-1-ium-1-ylacetate CAS Name: 2-(1-pyrrolidin-1-iumyl)acetic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 2-pyrrolidin-1-ium-1-ylacetate Traditional Name: 2-pyrrolidin-1-ium-1-ylacetic acid (4-tert-butylcyclohexyl) ester Formula: C16H30NO2+ MolecularWeight: 268.4149

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OC(=O)C[NH+]2CCCC2

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC(=O)C[NH+]2CCCC2

InChI

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