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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C[NH+](CNC2=S)CC3=CC=CO3

Isomeric SMILES

CCC1=CC=CC=C1N2C[NH+](CNC2=S)CC3=CC=CO3

InChI

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