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

Systemtic Name: N-cycloheptyl-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-cycloheptyl-acetamide CAS Name: N-cycloheptyl-2-[[5-[2-(1-piperidin-1-iumyl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cycloheptyl-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-cycloheptyl-acetamide Formula: C21H36N5OS+ MolecularWeight: 406.60844

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CCCCCC2)CC[NH+]3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CCCCCC2)CC[NH+]3CCCCC3

InChI

InChI=1S/C21H35N5OS/c1-2-13-26-19(12-16-25-14-8-5-9-15-25)23-24-21(26)28-17-20(27)22-18-10-6-3-4-7-11-18/h2,18H,1,3-17H2,(H,22,27)/p+1