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

Systemtic Name: 8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[(4-methyl-1-piperazin-4-iumyl)methyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC(=CC3=C2OCOC3)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC(=CC3=C2OCOC3)C(=O)[O-]

InChI

InChI=1S/C15H20N2O4/c1-16-2-4-17(5-3-16)8-12-6-11(15(18)19)7-13-9-20-10-21-14(12)13/h6-7H,2-5,8-10H2,1H3,(H,18,19)