3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1-methyl-imidazolidine-2,4-dione

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1-methyl-imidazolidine-2,4-dione Openeye Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1-methyl-imidazolidine-2,4-dione CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-1-methylimidazolidine-2,4-dione IUPAC Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1-methylimidazolidine-2,4-dione Traditional Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1-methyl-hydantoin Formula: C17H21N4O2S+ MolecularWeight: 345.43924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)N(C1=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1CC(=O)N(C1=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H20N4O2S/c1-19-10-15(22)21(17(19)23)11-20-8-6-12(7-9-20)16-18-13-4-2-3-5-14(13)24-16/h2-5,12H,6-11H2,1H3/p+1