1-(phenylsulfonyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(phenylsulfonyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine CAS Name: 1-(benzenesulfonyl)-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Traditional Name: 1-besyl-4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazine Formula: C19H25N4O4S2+ MolecularWeight: 437.5562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S2/c24-28(25,17-6-2-1-3-7-17)23-14-12-21(13-15-23)19-9-8-18(16-20-19)29(26,27)22-10-4-5-11-22/h1-3,6-9,16H,4-5,10-15H2/p+1