2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(1-ethyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Formula: C23H34N5OS+ MolecularWeight: 428.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H33N5OS/c1-2-27-15-13-19(14-16-27)24-21(29)17-30-23-25-22(18-9-5-3-6-10-18)28(26-23)20-11-7-4-8-12-20/h4,7-8,11-12,18-19H,2-3,5-6,9-10,13-17H2,1H3,(H,24,29)/p+1