1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazine Formula: C21H27N4O6S2+ MolecularWeight: 495.59228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H26N4O6S2/c26-32(27,17-3-5-19-20(15-17)31-14-13-30-19)25-11-9-23(10-12-25)21-6-4-18(16-22-21)33(28,29)24-7-1-2-8-24/h3-6,15-16H,1-2,7-14H2/p+1