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

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-homoveratryl-1,3,5-triazinan-5-ium-2-thione Formula: C13H20N3O2S+ MolecularWeight: 282.3818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH+]2CNC(=S)NC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH+]2CNC(=S)NC2)OC

InChI

InChI=1S/C13H19N3O2S/c1-17-11-4-3-10(7-12(11)18-2)5-6-16-8-14-13(19)15-9-16/h3-4,7H,5-6,8-9H2,1-2H3,(H2,14,15,19)/p+1