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

Systemtic Name: N-cyclohexyl-2-[[4-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclohexyl-2-[[4-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-2-[[4-[2-(4-morpholin-4-iumyl)ethyl]-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[[4-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclohexyl-2-[[4-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H32N5O2S+ MolecularWeight: 430.58678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NN=C(N2CC[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=C(N2CC[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H31N5O2S/c28-20(23-19-9-5-2-6-10-19)17-30-22-25-24-21(18-7-3-1-4-8-18)27(22)12-11-26-13-15-29-16-14-26/h1,3-4,7-8,19H,2,5-6,9-17H2,(H,23,28)/p+1