1-[2-[[4-ethyl-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium

Systemtic Name: 1-[2-[[4-ethyl-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium Openeye Name: 1-[2-[[4-ethyl-5-(2-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium CAS Name: 1-[2-[[4-ethyl-5-(2-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]ethyl]piperidin-1-ium IUPAC Name: 1-[2-[[4-ethyl-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium Traditional Name: 1-[2-[[4-ethyl-5-(2-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]ethyl]piperidin-1-ium Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC[NH+]2CCCCC2)COC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCN1C(=NN=C1SCC[NH+]2CCCCC2)COC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H28N4OS/c1-2-26-21(17-27-20-11-10-18-8-4-5-9-19(18)16-20)23-24-22(26)28-15-14-25-12-6-3-7-13-25/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3/p+1