[3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-1-ium-1-yl] (2-propoxyphenyl) carbonate

Systemtic Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-1-ium-1-yl] (2-propoxyphenyl) carbonate Openeye Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-1-ium-1-yl] (2-propoxyphenyl) carbonate CAS Name: carbonic acid [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-1-ium-1-yl] (2-propoxyphenyl) ester IUPAC Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-1-ium-1-yl] (2-propoxyphenyl) carbonate Traditional Name: carbonic acid [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-1-ium-1-yl] (2-propoxyphenyl) ester Formula: C23H31N4O5S+ MolecularWeight: 475.58104

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1OC(=O)O[N+]2(CCCN(C2=O)C3=NN=C(S3)C4CCCCC4)C

Isomeric SMILES

CCCOC1=CC=CC=C1OC(=O)O[N+]2(CCCN(C2=O)C3=NN=C(S3)C4CCCCC4)C

InChI

InChI=1S/C23H31N4O5S/c1-3-16-30-18-12-7-8-13-19(18)31-23(29)32-27(2)15-9-14-26(22(27)28)21-25-24-20(33-21)17-10-5-4-6-11-17/h7-8,12-13,17H,3-6,9-11,14-16H2,1-2H3/q+1