2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C19H22N3O3S+ MolecularWeight: 372.46128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H21N3O3S/c23-19(14-26-16-1-2-17-18(13-16)25-12-11-24-17)22-9-7-21(8-10-22)15-3-5-20-6-4-15/h1-6,13H,7-12,14H2/p+1