2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine

Systemtic Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Openeye Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]-4-methyl-6-(4-methyl-1-piperazin-4-iumyl)pyrimidine IUPAC Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Traditional Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2COC3=CC=CC=C3O2)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC[C@@H]2COC3=CC=CC=C3O2)N4CC[NH+](CC4)C

InChI

InChI=1S/C19H24N4O2S/c1-14-11-18(23-9-7-22(2)8-10-23)21-19(20-14)26-13-15-12-24-16-5-3-4-6-17(16)25-15/h3-6,11,15H,7-10,12-13H2,1-2H3/p+1/t15-/m0/s1