[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-morpholin-4-ylsulfonylpiperidin-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-morpholin-4-ylsulfonylpiperidin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-morpholinosulfonyl-4-piperidyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[1-(4-morpholinylsulfonyl)-4-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-morpholin-4-ylsulfonylpiperidin-4-yl)methanone Traditional Name: (1-morpholinosulfonyl-4-piperidyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C22H33N4O6S+ MolecularWeight: 481.58562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C22H32N4O6S/c27-22(19-3-5-25(6-4-19)33(28,29)26-11-13-30-14-12-26)24-9-7-23(8-10-24)16-18-1-2-20-21(15-18)32-17-31-20/h1-2,15,19H,3-14,16-17H2/p+1