5-[[1-(phenylmethyl)indol-3-yl]methylidene]-3-(piperidin-1-ium-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[[1-(phenylmethyl)indol-3-yl]methylidene]-3-(piperidin-1-ium-1-ylmethyl)-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(1-benzylindol-3-yl)methylene]-3-(piperidin-1-ium-1-ylmethyl)thiazolidine-2,4-dione CAS Name: 5-[[1-(phenylmethyl)-3-indolyl]methylidene]-3-(1-piperidin-1-iumylmethyl)thiazolidine-2,4-dione IUPAC Name: 5-[(1-benzylindol-3-yl)methylidene]-3-(piperidin-1-ium-1-ylmethyl)-1,3-thiazolidine-2,4-dione Traditional Name: 5-[(1-benzylindol-3-yl)methylene]-3-(piperidin-1-ium-1-ylmethyl)thiazolidine-2,4-quinone Formula: C25H26N3O2S+ MolecularWeight: 432.55784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)SC2=O

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)SC2=O

InChI

InChI=1S/C25H25N3O2S/c29-24-23(31-25(30)28(24)18-26-13-7-2-8-14-26)15-20-17-27(16-19-9-3-1-4-10-19)22-12-6-5-11-21(20)22/h1,3-6,9-12,15,17H,2,7-8,13-14,16,18H2/p+1