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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-pyridyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C23H23N4O3S+ MolecularWeight: 435.51872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H22N4O3S/c28-23(27-12-10-26(11-13-27)21-5-1-2-8-24-21)18-4-3-9-25-22(18)31-17-6-7-19-20(16-17)30-15-14-29-19/h1-9,16H,10-15H2/p+1