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

Systemtic Name: 2-[(2S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[(2S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-3-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-2-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[(2S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-hydroxy-propyl]isoindoline-1,3-quinone Formula: C23H24N3O3S+ MolecularWeight: 422.51996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S/c27-16(14-26-22(28)17-5-1-2-6-18(17)23(26)29)13-25-11-9-15(10-12-25)21-24-19-7-3-4-8-20(19)30-21/h1-8,15-16,27H,9-14H2/p+1/t16-/m1/s1