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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-methylbut-2-enyl)piperazin-4-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-methylbut-2-enyl)piperazin-4-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-methylbut-2-enyl)piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-methylbut-2-enyl)piperazin-4-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-methylbut-2-enyl)piperazin-4-ium Formula: C17H25N2O4S+ MolecularWeight: 353.4564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-14(2)5-6-18-7-9-19(10-8-18)24(20,21)15-3-4-16-17(13-15)23-12-11-22-16/h3-5,13H,6-12H2,1-2H3/p+1