methyl (2S,5S,6R)-6-(2-ethoxynaphthalen-1-yl)-4-methyl-2-methylsulfanyl-1,2,5,6-tetrahydropyrimidin-1-ium-5-carboxylate

Systemtic Name: methyl (2S,5S,6R)-6-(2-ethoxynaphthalen-1-yl)-4-methyl-2-methylsulfanyl-1,2,5,6-tetrahydropyrimidin-1-ium-5-carboxylate Openeye Name: methyl (2S,5S,6R)-6-(2-ethoxy-1-naphthyl)-4-methyl-2-methylsulfanyl-1,2,5,6-tetrahydropyrimidin-1-ium-5-carboxylate CAS Name: (2S,5S,6R)-6-(2-ethoxy-1-naphthalenyl)-4-methyl-2-(methylthio)-1,2,5,6-tetrahydropyrimidin-1-ium-5-carboxylic acid methyl ester IUPAC Name: methyl (2S,5S,6R)-6-(2-ethoxynaphthalen-1-yl)-4-methyl-2-methylsulfanyl-1,2,5,6-tetrahydropyrimidin-1-ium-5-carboxylate Traditional Name: (2S,5S,6R)-6-(2-ethoxy-1-naphthyl)-4-methyl-2-(methylthio)-1,2,5,6-tetrahydropyrimidin-1-ium-5-carboxylic acid methyl ester Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C3C(C(=NC([NH2+]3)SC)C)C(=O)OC

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)[C@H]3[C@@H](C(=N[C@H]([NH2+]3)SC)C)C(=O)OC

InChI

InChI=1S/C20H24N2O3S/c1-5-25-15-11-10-13-8-6-7-9-14(13)17(15)18-16(19(23)24-3)12(2)21-20(22-18)26-4/h6-11,16,18,20,22H,5H2,1-4H3/p+1/t16-,18-,20-/m1/s1