(3S,5S,8aR)-5-bromanyl-7,7,8a-trimethyl-3-propan-2-yl-5-prop-2-enylsulfanyl-3,4,6,8-tetrahydro-[1,3]oxazolo[3,2-c]pyrimidine-4,6-diium-2-one

Systemtic Name: (3S,5S,8aR)-5-bromanyl-7,7,8a-trimethyl-3-propan-2-yl-5-prop-2-enylsulfanyl-3,4,6,8-tetrahydro-[1,3]oxazolo[3,2-c]pyrimidine-4,6-diium-2-one Openeye Name: (3S,5S,8aR)-5-allylsulfanyl-5-bromo-3-isopropyl-7,7,8a-trimethyl-3,4,6,8-tetrahydrooxazolo[3,2-c]pyrimidine-4,6-diium-2-one CAS Name: (3S,5S,8aR)-5-bromo-7,7,8a-trimethyl-3-propan-2-yl-5-(prop-2-enylthio)-3,4,6,8-tetrahydrooxazolo[3,2-c]pyrimidine-4,6-diium-2-one IUPAC Name: (3S,5S,8aR)-5-bromo-7,7,8a-trimethyl-3-propan-2-yl-5-prop-2-enylsulfanyl-3,4,6,8-tetrahydro-[1,3]oxazolo[3,2-c]pyrimidine-4,6-diium-2-one Traditional Name: (3S,5S,8aR)-5-(allylthio)-5-bromo-3-isopropyl-7,7,8a-trimethyl-3,4,6,8-tetrahydrooxazolo[3,2-c]pyrimidine-4,6-diium-2-one Formula: C15H27BrN2O2S+2 MolecularWeight: 379.35608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)OC2([NH+]1C([NH2+]C(C2)(C)C)(SCC=C)Br)C

Isomeric SMILES

CC(C)[C@H]1C(=O)O[C@]2([NH+]1[C@@]([NH2+]C(C2)(C)C)(SCC=C)Br)C

InChI

InChI=1S/C15H25BrN2O2S/c1-7-8-21-15(16)17-13(4,5)9-14(6)18(15)11(10(2)3)12(19)20-14/h7,10-11,17H,1,8-9H2,2-6H3/p+2/t11-,14+,15+/m0/s1