N-[3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide CAS Name: N-[3-[[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O3S/c1-14(2)19-21-15(3)12-18(22-19)24-8-10-25(11-9-24)20(26)16-6-5-7-17(13-16)23-29(4,27)28/h5-7,12-14,23H,8-11H2,1-4H3/p+1