(3S)-1-[2-oxidanylidene-2-(propylamino)ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-oxidanylidene-2-(propylamino)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-oxo-2-(propylamino)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-(propylamino)ethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-oxo-2-(propylamino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(propylamino)ethyl]piperidin-1-ium-3-carboxylate Formula: C11H20N2O3 MolecularWeight: 228.2881

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCCC(C1)C(=O)[O-]

Isomeric SMILES

CCCNC(=O)C[NH+]1CCC[C@@H](C1)C(=O)[O-]

InChI

InChI=1S/C11H20N2O3/c1-2-5-12-10(14)8-13-6-3-4-9(7-13)11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)/t9-/m0/s1