1-butyl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-butyl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-butyl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-butyl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-butyl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-butyl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Formula: C15H24N3S+ MolecularWeight: 278.43616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C[NH+](CNC1=S)CCC2=CC=CC=C2

Isomeric SMILES

CCCCN1C[NH+](CNC1=S)CCC2=CC=CC=C2

InChI

InChI=1S/C15H23N3S/c1-2-3-10-18-13-17(12-16-15(18)19)11-9-14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3,(H,16,19)/p+1