2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C24H28N5O3S+ MolecularWeight: 466.57582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H27N5O3S/c1-2-29-19(18-6-7-20-21(15-18)32-14-13-31-20)16-26-24(29)33-17-23(30)28-11-9-27(10-12-28)22-5-3-4-8-25-22/h3-8,15-16H,2,9-14,17H2,1H3/p+1