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

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

CC1CC[NH+](CC1)CC2=CC(=CC3=C2OCOC3)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC(=CC3=C2OCOC3)C(=O)[O-]

InChI

InChI=1S/C16H21NO4/c1-11-2-4-17(5-3-11)8-13-6-12(16(18)19)7-14-9-20-10-21-15(13)14/h6-7,11H,2-5,8-10H2,1H3,(H,18,19)