2-[4-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C24H25ClN3O2S+ MolecularWeight: 454.9922

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=C(S2)C=CC(=C3)Cl)CCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=C(S2)C=CC(=C3)Cl)CCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H24ClN3O2S/c25-17-7-8-21-20(15-17)26-22(31-21)16-9-13-27(14-10-16)11-3-4-12-28-23(29)18-5-1-2-6-19(18)24(28)30/h1-2,5-8,15-16H,3-4,9-14H2/p+1