methyl 4-[[3-(2-hydroxyethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[3-(2-hydroxyethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-(2-hydroxyethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-(2-hydroxyethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-hydroxyethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(2-hydroxyethyl)-2,4-dihydro-1H-s-triazin-5-ium-6-yl]thio]methyl]benzoic acid methyl ester Formula: C14H20N3O3S+ MolecularWeight: 310.3919

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=[NH+]CN(CN2)CCO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=[NH+]CN(CN2)CCO

InChI

InChI=1S/C14H19N3O3S/c1-20-13(19)12-4-2-11(3-5-12)8-21-14-15-9-17(6-7-18)10-16-14/h2-5,18H,6-10H2,1H3,(H,15,16)/p+1