1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[[(2R)-2-oxanyl]methyl]piperazin-4-ium IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium Formula: C19H29N2O5S+ MolecularWeight: 397.50896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCO[C@H](C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H28N2O5S/c22-27(23,17-5-6-18-19(14-17)26-13-3-12-25-18)21-9-7-20(8-10-21)15-16-4-1-2-11-24-16/h5-6,14,16H,1-4,7-13,15H2/p+1/t16-/m1/s1