6-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinyl]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazino]pyridin-1-ium-3-sulfonamide Formula: C18H21N4O5S+ MolecularWeight: 405.44814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)S(=O)(=O)N)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)S(=O)(=O)N)C(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C18H20N4O5S/c19-28(24,25)13-5-6-17(20-11-13)21-7-9-22(10-8-21)18(23)16-12-26-14-3-1-2-4-15(14)27-16/h1-6,11,16H,7-10,12H2,(H2,19,24,25)/p+1/t16-/m0/s1