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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C[NH+](CNC2=S)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C[NH+](CNC2=S)CC3=CC=CO3)C

InChI

InChI=1S/C16H19N3OS/c1-12-5-3-7-15(13(12)2)19-11-18(10-17-16(19)21)9-14-6-4-8-20-14/h3-8H,9-11H2,1-2H3,(H,17,21)/p+1