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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-methylprop-2-enyl)piperazin-4-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-methylallyl)piperazin-4-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-methylprop-2-enyl)piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-methylprop-2-enyl)piperazin-4-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-methylallyl)piperazin-4-ium Formula: C16H23N2O4S+ MolecularWeight: 339.42982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-13(2)12-17-5-7-18(8-6-17)23(19,20)14-3-4-15-16(11-14)22-10-9-21-15/h3-4,11H,1,5-10,12H2,2H3/p+1