1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-pyridin-1-ium-2-yl-piperazine Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C17H19N3O4S/c21-25(22,14-4-5-15-16(13-14)24-12-11-23-15)20-9-7-19(8-10-20)17-3-1-2-6-18-17/h1-6,13H,7-12H2/p+1