4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,4-thiazinan-4-ium 1,1-dioxide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,4-thiazinan-4-ium 1,1-dioxide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,4-thiazinan-4-ium 1,1-dioxide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,4-thiazinan-4-ium 1,1-dioxide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,4-thiazinan-4-ium 1,1-dioxide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,4-thiazinan-4-ium 1,1-dioxide Formula: C14H20NO4S+ MolecularWeight: 298.3779

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C[NH+]3CCS(=O)(=O)CC3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C[NH+]3CCS(=O)(=O)CC3)OC1

InChI

InChI=1S/C14H19NO4S/c16-20(17)8-4-15(5-9-20)11-12-2-3-13-14(10-12)19-7-1-6-18-13/h2-3,10H,1,4-9,11H2/p+1