4-(3-methoxypropyl)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(3-methoxypropyl)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-(3-methoxypropyl)-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-(3-methoxypropyl)-3-[[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(3-methoxypropyl)-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C17H25N6O3S+ MolecularWeight: 393.4838

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H24N6O3S/c1-26-12-4-7-23-16(25)19-20-17(23)27-13-15(24)22-10-8-21(9-11-22)14-5-2-3-6-18-14/h2-3,5-6H,4,7-13H2,1H3,(H,19,25)/p+1