2-(4-piperidin-1-ium-1-ylbut-2-ynyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride

Systemtic Name: 2-(4-piperidin-1-ium-1-ylbut-2-ynyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride Openeye Name: 2-(4-piperidin-1-ium-1-ylbut-2-ynyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride CAS Name: 2-[4-(1-piperidin-1-iumyl)but-2-ynyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride IUPAC Name: 2-(4-piperidin-1-ium-1-ylbut-2-ynyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride Traditional Name: 2-(4-piperidin-1-ium-1-ylbut-2-ynyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone chloride Formula: C17H23ClN2O2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC#CCN2C(=O)C3CC=CCC3C2=O.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC#CCN2C(=O)C3CC=CCC3C2=O.[Cl-]

InChI

InChI=1S/C17H22N2O2.ClH/c20-16-14-8-2-3-9-15(14)17(21)19(16)13-7-6-12-18-10-4-1-5-11-18;/h2-3,14-15H,1,4-5,8-13H2;1H