5-[(2S)-2-ethylhexyl]-1-phenyl-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-[(2S)-2-ethylhexyl]-1-phenyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-[(2S)-2-ethylhexyl]-1-phenyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-[(2S)-2-ethylhexyl]-1-phenyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-[(2S)-2-ethylhexyl]-1-phenyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-[(2S)-2-ethylhexyl]-1-phenyl-1,3,5-triazinan-5-ium-2-thione Formula: C17H28N3S+ MolecularWeight: 306.48932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH+]1CNC(=S)N(C1)C2=CC=CC=C2

Isomeric SMILES

CCCC[C@H](CC)C[NH+]1CNC(=S)N(C1)C2=CC=CC=C2

InChI

InChI=1S/C17H27N3S/c1-3-5-9-15(4-2)12-19-13-18-17(21)20(14-19)16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,18,21)/p+1/t15-/m0/s1