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

Systemtic Name: 5-(furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-(2-furylmethyl)-1-phenethyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-(2-furanylmethyl)-1-phenethyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-(furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-(2-furfuryl)-1-phenethyl-1,3,5-triazinan-5-ium-2-thione Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)N(C[NH+]1CC2=CC=CO2)CCC3=CC=CC=C3

Isomeric SMILES

C1NC(=S)N(C[NH+]1CC2=CC=CO2)CCC3=CC=CC=C3

InChI

InChI=1S/C16H19N3OS/c21-16-17-12-18(11-15-7-4-10-20-15)13-19(16)9-8-14-5-2-1-3-6-14/h1-7,10H,8-9,11-13H2,(H,17,21)/p+1