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

Systemtic Name: 5-cyclohexyl-1-[2-(3,4-diethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-cyclohexyl-1-[2-(3,4-diethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-cyclohexyl-1-[2-(3,4-diethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-cyclohexyl-1-[2-(3,4-diethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-cyclohexyl-1-[2-(3,4-diethoxyphenyl)ethyl]-1,3,5-triazinan-5-ium-2-thione Formula: C21H34N3O2S+ MolecularWeight: 392.57856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN2C[NH+](CNC2=S)C3CCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN2C[NH+](CNC2=S)C3CCCCC3)OCC

InChI

InChI=1S/C21H33N3O2S/c1-3-25-19-11-10-17(14-20(19)26-4-2)12-13-23-16-24(15-22-21(23)27)18-8-6-5-7-9-18/h10-11,14,18H,3-9,12-13,15-16H2,1-2H3,(H,22,27)/p+1