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

Systemtic Name: (2S,6S)-2-bromanyl-4-(4-methoxyphenyl)-6-phenyl-2-prop-2-enylsulfanyl-5,6-dihydro-1H-pyrimidin-1-ium Openeye Name: (2S,6S)-2-allylsulfanyl-2-bromo-4-(4-methoxyphenyl)-6-phenyl-5,6-dihydro-1H-pyrimidin-1-ium CAS Name: (2S,6S)-2-bromo-4-(4-methoxyphenyl)-6-phenyl-2-(prop-2-enylthio)-5,6-dihydro-1H-pyrimidin-1-ium IUPAC Name: (2S,6S)-2-bromo-4-(4-methoxyphenyl)-6-phenyl-2-prop-2-enylsulfanyl-5,6-dihydro-1H-pyrimidin-1-ium Traditional Name: (2S,6S)-2-(allylthio)-2-bromo-4-(4-methoxyphenyl)-6-phenyl-5,6-dihydro-1H-pyrimidin-1-ium Formula: C20H22BrN2OS+ MolecularWeight: 418.37048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2OS/c1-3-13-25-20(21)22-18(15-7-5-4-6-8-15)14-19(23-20)16-9-11-17(24-2)12-10-16/h3-12,18,22H,1,13-14H2,2H3/p+1/t18-,20+/m0/s1