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

Systemtic Name: N-ethyl-N-naphthalen-1-yl-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-ethyl-N-(1-naphthyl)acetamide CAS Name: N-ethyl-N-(1-naphthalenyl)-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-ethyl-N-naphthalen-1-ylacetamide Traditional Name: 2-[[4-benzyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(1-naphthyl)acetamide Formula: C29H34N5OS+ MolecularWeight: 500.67816

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C[NH+]5CCCCC5

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C[NH+]5CCCCC5

InChI

InChI=1S/C29H33N5OS/c1-2-33(26-17-11-15-24-14-7-8-16-25(24)26)28(35)22-36-29-31-30-27(21-32-18-9-4-10-19-32)34(29)20-23-12-5-3-6-13-23/h3,5-8,11-17H,2,4,9-10,18-22H2,1H3/p+1