1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-prop-2-enyl-piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-prop-2-enyl-piperazin-4-ium Openeye Name: 1-allyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-prop-2-enylpiperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-prop-2-enylpiperazin-4-ium Traditional Name: 1-allyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium Formula: C15H21N2O4S+ MolecularWeight: 325.40324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c1-2-5-16-6-8-17(9-7-16)22(18,19)13-3-4-14-15(12-13)21-11-10-20-14/h2-4,12H,1,5-11H2/p+1