1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-bromanyl-indole-2,3-dione

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-bromanyl-indole-2,3-dione Openeye Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-bromo-indoline-2,3-dione CAS Name: 1-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-bromoindole-2,3-dione IUPAC Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-bromoindole-2,3-dione Traditional Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-bromo-isatin Formula: C21H19BrN3O2S+ MolecularWeight: 457.36346

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CN4C5=C(C=C(C=C5)Br)C(=O)C4=O

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CN4C5=C(C=C(C=C5)Br)C(=O)C4=O

InChI

InChI=1S/C21H18BrN3O2S/c22-14-5-6-17-15(11-14)19(26)21(27)25(17)12-24-9-7-13(8-10-24)20-23-16-3-1-2-4-18(16)28-20/h1-6,11,13H,7-10,12H2/p+1