1-[[(2S)-oxolan-2-yl]methyl]-5-phenethyl-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-[[(2S)-oxolan-2-yl]methyl]-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-phenethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-[[(2S)-2-oxolanyl]methyl]-5-phenethyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-[[(2S)-oxolan-2-yl]methyl]-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-phenethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,3,5-triazinan-5-ium-2-thione Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C[NH+](CNC2=S)CCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](OC1)CN2C[NH+](CNC2=S)CCC3=CC=CC=C3

InChI

InChI=1S/C16H23N3OS/c21-16-17-12-18(9-8-14-5-2-1-3-6-14)13-19(16)11-15-7-4-10-20-15/h1-3,5-6,15H,4,7-13H2,(H,17,21)/p+1/t15-/m0/s1