4-methyl-2-propan-2-yl-6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pyrimidin-1-ium

Systemtic Name: 4-methyl-2-propan-2-yl-6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pyrimidin-1-ium Openeye Name: 2-isopropyl-6-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-4-methyl-pyrimidin-1-ium CAS Name: 4-methyl-2-propan-2-yl-6-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]pyrimidin-1-ium IUPAC Name: 4-methyl-2-propan-2-yl-6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pyrimidin-1-ium Traditional Name: 2-isopropyl-4-methyl-6-(4-p-cumenylsulfonylpiperazino)pyrimidin-1-ium Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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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=C(C=C3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2S/c1-15(2)18-6-8-19(9-7-18)28(26,27)25-12-10-24(11-13-25)20-14-17(5)22-21(23-20)16(3)4/h6-9,14-16H,10-13H2,1-5H3/p+1