1-(4,6-dimethylpyrimidin-2-yl)-1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-1-ium-3-carboxamide Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-1-ium-3-carboxamide CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-iumcarboxamide IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-1-ium-3-carboxamide Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-(6-mesyl-1,3-benzothiazol-2-yl)piperidin-1-ium-3-carboxamide Formula: C20H24N5O3S2+ MolecularWeight: 446.56626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N+]2(CCCC(C2)C(=O)N)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)[N+]2(CCCC(C2)C(=O)N)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C20H23N5O3S2/c1-12-9-13(2)23-19(22-12)25(8-4-5-14(11-25)18(21)26)20-24-16-7-6-15(30(3,27)28)10-17(16)29-20/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H-,21,26)/p+1