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

Systemtic Name: (3S)-1-[2-oxidanylidene-2-(pentylamino)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-oxo-2-(pentylamino)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-(pentylamino)ethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-oxo-2-(pentylamino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(amylamino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C13H24N2O3 MolecularWeight: 256.34126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N2O3/c1-2-3-4-7-14-12(16)10-15-8-5-6-11(9-15)13(17)18/h11H,2-10H2,1H3,(H,14,16)(H,17,18)/t11-/m0/s1