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

Systemtic Name: 1-[2-(3,4-diethoxyphenyl)ethyl]-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-benzyl-1-[2-(3,4-diethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-[2-(3,4-diethoxyphenyl)ethyl]-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-benzyl-1-[2-(3,4-diethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-benzyl-1-[2-(3,4-diethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN2C[NH+](CNC2=S)CC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN2C[NH+](CNC2=S)CC3=CC=CC=C3)OCC

InChI

InChI=1S/C22H29N3O2S/c1-3-26-20-11-10-18(14-21(20)27-4-2)12-13-25-17-24(16-23-22(25)28)15-19-8-6-5-7-9-19/h5-11,14H,3-4,12-13,15-17H2,1-2H3,(H,23,28)/p+1