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

Systemtic Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-diazinane-2,4-dione Openeye Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]hexahydropyrimidine-2,4-dione CAS Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-1,3-diazinane-2,4-dione IUPAC Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-diazinane-2,4-dione Traditional Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5,6-dihydrouracil Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CN4C(=O)CCNC4=O

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=NC3=CC=CC=C3S2)CN4C(=O)CCNC4=O

InChI

InChI=1S/C17H20N4O2S/c22-15-8-9-18-17(23)21(15)11-20-10-4-3-6-13(20)16-19-12-5-1-2-7-14(12)24-16/h1-2,5,7,13H,3-4,6,8-11H2,(H,18,23)/p+1/t13-/m0/s1