1-(1,3-benzodioxol-5-ylmethyl)-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[5-(1-piperidylsulfonyl)-2-pyridyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[5-(1-piperidinylsulfonyl)-2-pyridinyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Traditional Name: 1-(5-piperidinosulfonyl-2-pyridyl)-4-piperonyl-piperazin-4-ium Formula: C22H29N4O4S+ MolecularWeight: 445.55506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H28N4O4S/c27-31(28,26-8-2-1-3-9-26)19-5-7-22(23-15-19)25-12-10-24(11-13-25)16-18-4-6-20-21(14-18)30-17-29-20/h4-7,14-15H,1-3,8-13,16-17H2/p+1