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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

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