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

Systemtic Name: N-ethyl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-ethyl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thienylmethyl)acetamide CAS Name: N-ethyl-2-[[4-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-ethyl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-ethyl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-thenyl)acetamide Formula: C23H30N5OS2+ MolecularWeight: 456.6472

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CS1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCCC4

Isomeric SMILES

CCN(CC1=CC=CS1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C23H29N5OS2/c1-2-27(16-20-12-9-15-30-20)22(29)18-31-23-25-24-21(17-26-13-7-4-8-14-26)28(23)19-10-5-3-6-11-19/h3,5-6,9-12,15H,2,4,7-8,13-14,16-18H2,1H3/p+1