2-[4-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]ethenyl-dimethyl-azanium

Systemtic Name: 2-[4-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]ethenyl-dimethyl-azanium Openeye Name: 2-[4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-piperidyl]sulfonyl]-3-methyl-isoxazol-5-yl]vinyl-dimethyl-ammonium CAS Name: 2-[4-[[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-1-piperidinyl]sulfonyl]-3-methyl-5-isoxazolyl]ethenyl-dimethylammonium IUPAC Name: 2-[4-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]ethenyl-dimethylazanium Traditional Name: dimethyl-[2-[3-methyl-4-[3-(piperonylcarbamoyl)piperidino]sulfonyl-isoxazol-5-yl]vinyl]ammonium Formula: C22H29N4O6S+ MolecularWeight: 477.55386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C=C[NH+](C)C

Isomeric SMILES

CC1=NOC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C=C[NH+](C)C

InChI

InChI=1S/C22H28N4O6S/c1-15-21(19(32-24-15)8-10-25(2)3)33(28,29)26-9-4-5-17(13-26)22(27)23-12-16-6-7-18-20(11-16)31-14-30-18/h6-8,10-11,17H,4-5,9,12-14H2,1-3H3,(H,23,27)/p+1