2-(4-methyl-1,3-thiazol-2-yl)-1-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-methyl-1,3-thiazol-2-yl)-1-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-2-(4-methylthiazol-2-yl)ethanone CAS Name: 1-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-1-piperazin-4-iumyl]-2-(4-methyl-2-thiazolyl)ethanone IUPAC Name: 1-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone Traditional Name: 1-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-2-(4-methylthiazol-2-yl)ethanone Formula: C18H22N3O4S+ MolecularWeight: 376.44998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

CC1=CSC(=N1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C18H21N3O4S/c1-12-10-26-17(19-12)8-18(23)21-4-2-20(3-5-21)9-13-6-15-16(7-14(13)22)25-11-24-15/h6-7,10,22H,2-5,8-9,11H2,1H3/p+1