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: 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: 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: 4-[4-methyl-3-[2-(1-piperidin-1-iumyl)ethylthio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 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: 4-[4-methyl-3-(2-piperidin-1-ium-1-ylethylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4OS/c1-19-15(13-5-7-14(21)8-6-13)17-18-16(19)22-12-11-20-9-3-2-4-10-20/h5-8,17H,2-4,9-12H2,1H3/p+1