diethyl (3S,4S)-1-hexylpyrrolidin-1-ium-3,4-dicarboxylate

Systemtic Name: diethyl (3S,4S)-1-hexylpyrrolidin-1-ium-3,4-dicarboxylate Openeye Name: diethyl (3S,4S)-1-hexylpyrrolidin-1-ium-3,4-dicarboxylate CAS Name: (3S,4S)-1-hexylpyrrolidin-1-ium-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3S,4S)-1-hexylpyrrolidin-1-ium-3,4-dicarboxylate Traditional Name: (3S,4S)-1-hexylpyrrolidin-1-ium-3,4-dicarboxylic acid diethyl ester Formula: C16H30NO4+ MolecularWeight: 300.4137

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH+]1CC(C(C1)C(=O)OCC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H29NO4/c1-4-7-8-9-10-17-11-13(15(18)20-5-2)14(12-17)16(19)21-6-3/h13-14H,4-12H2,1-3H3/p+1/t13-,14-/m1/s1