N-(3-methoxyphenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-methoxyphenyl)-2-[[4-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-methoxyphenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H28N5O2S+ MolecularWeight: 438.56572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C23H27N5O2S/c1-30-20-12-8-9-18(15-20)24-22(29)17-31-23-26-25-21(16-27-13-6-3-7-14-27)28(23)19-10-4-2-5-11-19/h2,4-5,8-12,15H,3,6-7,13-14,16-17H2,1H3,(H,24,29)/p+1