(3S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)C2=CC3=C(C=C2)OCCO3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)C2=CC3=C(C=C2)OCCO3)C(=O)[O-]

InChI

InChI=1S/C16H19NO5/c18-13(10-17-5-1-2-12(9-17)16(19)20)11-3-4-14-15(8-11)22-7-6-21-14/h3-4,8,12H,1-2,5-7,9-10H2,(H,19,20)/t12-/m0/s1