6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H22N4O2S/c1-21-14(11-17(24)22(2)19(21)25)12-23-9-7-13(8-10-23)18-20-15-5-3-4-6-16(15)26-18/h3-6,11,13H,7-10,12H2,1-2H3/p+1