methyl 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: methyl 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]propanoate Openeye Name: methyl 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]propionic acid methyl ester Formula: C16H23N2O6S+ MolecularWeight: 371.42862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H22N2O6S/c1-22-16(19)4-5-17-6-8-18(9-7-17)25(20,21)13-2-3-14-15(12-13)24-11-10-23-14/h2-3,12H,4-11H2,1H3/p+1