5-butyl-1-[2-(3,4-diethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-butyl-1-[2-(3,4-diethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-butyl-1-[2-(3,4-diethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-butyl-1-[2-(3,4-diethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-butyl-1-[2-(3,4-diethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-butyl-1-[2-(3,4-diethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione Formula: C19H32N3O2S+ MolecularWeight: 366.54128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CNC(=S)N(C1)CCC2=CC(=C(C=C2)OCC)OCC

Isomeric SMILES

CCCC[NH+]1CNC(=S)N(C1)CCC2=CC(=C(C=C2)OCC)OCC

InChI

InChI=1S/C19H31N3O2S/c1-4-7-11-21-14-20-19(25)22(15-21)12-10-16-8-9-17(23-5-2)18(13-16)24-6-3/h8-9,13H,4-7,10-12,14-15H2,1-3H3,(H,20,25)/p+1