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

Systemtic Name: 1-[2-(3,4-diethoxyphenyl)ethyl]-5-(furan-2-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-[2-(3,4-diethoxyphenyl)ethyl]-5-(2-furylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-[2-(3,4-diethoxyphenyl)ethyl]-5-(2-furanylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-[2-(3,4-diethoxyphenyl)ethyl]-5-(furan-2-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-[2-(3,4-diethoxyphenyl)ethyl]-5-(2-furfuryl)-1,3,5-triazinan-5-ium-2-thione Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN2C[NH+](CNC2=S)CC3=CC=CO3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN2C[NH+](CNC2=S)CC3=CC=CO3)OCC

InChI

InChI=1S/C20H27N3O3S/c1-3-24-18-8-7-16(12-19(18)25-4-2)9-10-23-15-22(14-21-20(23)27)13-17-6-5-11-26-17/h5-8,11-12H,3-4,9-10,13-15H2,1-2H3,(H,21,27)/p+1