4-methyl-6-[4-(phenylsulfonyl)piperazin-1-yl]-2-propan-2-yl-pyrimidin-1-ium

Systemtic Name: 4-methyl-6-[4-(phenylsulfonyl)piperazin-1-yl]-2-propan-2-yl-pyrimidin-1-ium Openeye Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]-2-isopropyl-4-methyl-pyrimidin-1-ium CAS Name: 6-[4-(benzenesulfonyl)-1-piperazinyl]-4-methyl-2-propan-2-ylpyrimidin-1-ium IUPAC Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]-4-methyl-2-propan-2-ylpyrimidin-1-ium Traditional Name: 6-(4-besylpiperazino)-2-isopropyl-4-methyl-pyrimidin-1-ium Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c1-14(2)18-19-15(3)13-17(20-18)21-9-11-22(12-10-21)25(23,24)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3/p+1