6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-4-methyl-2-propan-2-yl-pyrimidin-1-ium

Systemtic Name: 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-4-methyl-2-propan-2-yl-pyrimidin-1-ium Openeye Name: 6-[4-(2,3-dihydrobenzofuran-5-ylsulfonyl)piperazin-1-yl]-2-isopropyl-4-methyl-pyrimidin-1-ium CAS Name: 6-[4-(2,3-dihydrobenzofuran-5-ylsulfonyl)-1-piperazinyl]-4-methyl-2-propan-2-ylpyrimidin-1-ium IUPAC Name: 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-4-methyl-2-propan-2-ylpyrimidin-1-ium Traditional Name: 6-(4-coumaran-5-ylsulfonylpiperazino)-2-isopropyl-4-methyl-pyrimidin-1-ium Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C20H26N4O3S/c1-14(2)20-21-15(3)12-19(22-20)23-7-9-24(10-8-23)28(25,26)17-4-5-18-16(13-17)6-11-27-18/h4-5,12-14H,6-11H2,1-3H3/p+1