1-(furan-2-ylmethyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-(furan-2-ylmethyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-benzyl-1-(2-furylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(2-furanylmethyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-benzyl-1-(furan-2-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-benzyl-1-(2-furfuryl)-1,3,5-triazinan-5-ium-2-thione Formula: C15H18N3OS+ MolecularWeight: 288.38792

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)N(C[NH+]1CC2=CC=CC=C2)CC3=CC=CO3

Isomeric SMILES

C1NC(=S)N(C[NH+]1CC2=CC=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C15H17N3OS/c20-15-16-11-17(9-13-5-2-1-3-6-13)12-18(15)10-14-7-4-8-19-14/h1-8H,9-12H2,(H,16,20)/p+1