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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[[4-(phenylmethyl)-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[4-(phenylmethyl)-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide Traditional Name: 2-[[4-benzyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C24H29ClN5OS+ MolecularWeight: 471.03796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C[NH+]4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C[NH+]4CCCCC4)Cl

InChI

InChI=1S/C24H28ClN5OS/c1-18-10-11-20(14-21(18)25)26-23(31)17-32-24-28-27-22(16-29-12-6-3-7-13-29)30(24)15-19-8-4-2-5-9-19/h2,4-5,8-11,14H,3,6-7,12-13,15-17H2,1H3,(H,26,31)/p+1