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

Systemtic Name: 8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-2-17-3-5-18(6-4-17)9-13-7-12(16(19)20)8-14-10-21-11-22-15(13)14/h7-8H,2-6,9-11H2,1H3,(H,19,20)