diethyl (3S,5S)-1-cyclohexylpiperidin-1-ium-3,5-dicarboxylate

Systemtic Name: diethyl (3S,5S)-1-cyclohexylpiperidin-1-ium-3,5-dicarboxylate Openeye Name: diethyl (3S,5S)-1-cyclohexylpiperidin-1-ium-3,5-dicarboxylate CAS Name: (3S,5S)-1-cyclohexylpiperidin-1-ium-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3S,5S)-1-cyclohexylpiperidin-1-ium-3,5-dicarboxylate Traditional Name: (3S,5S)-1-cyclohexylpiperidin-1-ium-3,5-dicarboxylic acid diethyl ester Formula: C17H30NO4+ MolecularWeight: 312.4244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C[NH+](C1)C2CCCCC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H](C[NH+](C1)C2CCCCC2)C(=O)OCC

InChI

InChI=1S/C17H29NO4/c1-3-21-16(19)13-10-14(17(20)22-4-2)12-18(11-13)15-8-6-5-7-9-15/h13-15H,3-12H2,1-2H3/p+1/t13-,14-/m0/s1