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

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-benzylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(1-benzylpiperidin-1-ium-4-yl)acetamide Formula: C25H36N5OS+ MolecularWeight: 454.65124

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C25H35N5OS/c1-2-15-30-24(21-11-7-4-8-12-21)27-28-25(30)32-19-23(31)26-22-13-16-29(17-14-22)18-20-9-5-3-6-10-20/h2-3,5-6,9-10,21-22H,1,4,7-8,11-19H2,(H,26,31)/p+1