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

Systemtic Name: N-(1-adamantyl)-2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-[2-(1-piperidin-1-iumyl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H38N5OS+ MolecularWeight: 444.65642

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)CC[NH+]5CCCCC5

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)CC[NH+]5CCCCC5

InChI

InChI=1S/C24H37N5OS/c1-2-7-29-21(6-10-28-8-4-3-5-9-28)26-27-23(29)31-17-22(30)25-24-14-18-11-19(15-24)13-20(12-18)16-24/h2,18-20H,1,3-17H2,(H,25,30)/p+1