ethyl 4-(5-cyclohexyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoate

Systemtic Name: ethyl 4-(5-cyclohexyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoate Openeye Name: ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-5-ium-1-yl)benzoate CAS Name: 4-(5-cyclohexyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(5-cyclohexyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoate Traditional Name: 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-5-ium-1-yl)benzoic acid ethyl ester Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C[NH+](CNC2=S)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C[NH+](CNC2=S)C3CCCCC3

InChI

InChI=1S/C18H25N3O2S/c1-2-23-17(22)14-8-10-16(11-9-14)21-13-20(12-19-18(21)24)15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,19,24)/p+1