N-(furan-2-ylmethyl)-2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: N-(2-furanylmethyl)-2-[[5-[2-(1-piperidin-1-iumyl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazol-3-yl]thio]-N-(2-furfuryl)acetamide Formula: C19H28N5O2S+ MolecularWeight: 390.52292

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)CC[NH+]3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)CC[NH+]3CCCCC3

InChI

InChI=1S/C19H27N5O2S/c1-2-9-24-17(8-12-23-10-4-3-5-11-23)21-22-19(24)27-15-18(25)20-14-16-7-6-13-26-16/h2,6-7,13H,1,3-5,8-12,14-15H2,(H,20,25)/p+1