N-[1-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl]piperidin-1-ium-4-yl]benzenesulfonamide

Systemtic Name: N-[1-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl]piperidin-1-ium-4-yl]benzenesulfonamide Openeye Name: N-[1-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl]piperidin-1-ium-4-yl]benzenesulfonamide CAS Name: N-[1-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl]-4-piperidin-1-iumyl]benzenesulfonamide IUPAC Name: N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidin-1-ium-4-yl]benzenesulfonamide Traditional Name: N-[1-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl]piperidin-1-ium-4-yl]benzenesulfonamide Formula: C18H25N4O4S+ MolecularWeight: 393.4805

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O4S/c1-20-15(12-17(23)21(2)18(20)24)13-22-10-8-14(9-11-22)19-27(25,26)16-6-4-3-5-7-16/h3-7,12,14,19H,8-11,13H2,1-2H3/p+1