(2S,6S)-2-bromanyl-6-(furan-2-yl)-4-(4-methoxyphenyl)-2-prop-2-enylsulfanyl-5,6-dihydro-1H-pyrimidin-1-ium

Systemtic Name: (2S,6S)-2-bromanyl-6-(furan-2-yl)-4-(4-methoxyphenyl)-2-prop-2-enylsulfanyl-5,6-dihydro-1H-pyrimidin-1-ium Openeye Name: (2S,6S)-2-allylsulfanyl-2-bromo-6-(2-furyl)-4-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-1-ium CAS Name: (2S,6S)-2-bromo-6-(2-furanyl)-4-(4-methoxyphenyl)-2-(prop-2-enylthio)-5,6-dihydro-1H-pyrimidin-1-ium IUPAC Name: (2S,6S)-2-bromo-6-(furan-2-yl)-4-(4-methoxyphenyl)-2-prop-2-enylsulfanyl-5,6-dihydro-1H-pyrimidin-1-ium Traditional Name: (2S,6S)-2-(allylthio)-2-bromo-6-(2-furyl)-4-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-1-ium Formula: C18H20BrN2O2S+ MolecularWeight: 408.3326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC([NH2+]C(C2)C3=CC=CO3)(SCC=C)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=N[C@@]([NH2+][C@@H](C2)C3=CC=CO3)(SCC=C)Br

InChI

InChI=1S/C18H19BrN2O2S/c1-3-11-24-18(19)20-15(13-6-8-14(22-2)9-7-13)12-16(21-18)17-5-4-10-23-17/h3-10,16,21H,1,11-12H2,2H3/p+1/t16-,18-/m0/s1