2,6-dimethoxy-4-[4-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-dimethoxy-4-[4-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-dimethoxy-4-[4-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-dimethoxy-4-[4-methyl-3-[2-(1-piperidin-1-iumyl)ethylthio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-dimethoxy-4-[4-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-dimethoxy-4-[4-methyl-3-(2-piperidin-1-ium-1-ylethylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=C(C(=O)C(=C2)OC)OC)NN=C1SCC[NH+]3CCCCC3

Isomeric SMILES

CN1C(=C2C=C(C(=O)C(=C2)OC)OC)NN=C1SCC[NH+]3CCCCC3

InChI

InChI=1S/C18H26N4O3S/c1-21-17(13-11-14(24-2)16(23)15(12-13)25-3)19-20-18(21)26-10-9-22-7-5-4-6-8-22/h11-12,19H,4-10H2,1-3H3/p+1