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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C21H20N3O2S+ MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H19N3O2S/c25-20-15-5-1-2-6-16(15)21(26)24(20)13-23-11-9-14(10-12-23)19-22-17-7-3-4-8-18(17)27-19/h1-8,14H,9-13H2/p+1