1-(1,3-benzodioxol-5-ylmethyl)-4-ethylsulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-ethylsulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-ethylsulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-ethylsulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-ethylsulfonylpiperazin-1-ium Traditional Name: 1-esyl-4-piperonyl-piperazin-4-ium Formula: C14H21N2O4S+ MolecularWeight: 313.39254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H20N2O4S/c1-2-21(17,18)16-7-5-15(6-8-16)10-12-3-4-13-14(9-12)20-11-19-13/h3-4,9H,2,5-8,10-11H2,1H3/p+1