8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC(=CC3=C2OCOC3)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC(=CC3=C2OCOC3)C(=O)[O-]

InChI

InChI=1S/C16H21NO4/c1-11-3-2-4-17(7-11)8-13-5-12(16(18)19)6-14-9-20-10-21-15(13)14/h5-6,11H,2-4,7-10H2,1H3,(H,18,19)/t11-/m0/s1