3-piperidin-1-ium-1-ylpropyl bicyclo[5.1.0]octa-3,5-diene-8-carboxylate chloride

Systemtic Name: 3-piperidin-1-ium-1-ylpropyl bicyclo[5.1.0]octa-3,5-diene-8-carboxylate chloride Openeye Name: 3-piperidin-1-ium-1-ylpropyl bicyclo[5.1.0]octa-3,5-diene-8-carboxylate chloride CAS Name: 8-bicyclo[5.1.0]octa-3,5-dienecarboxylic acid 3-(1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-piperidin-1-ium-1-ylpropyl bicyclo[5.1.0]octa-3,5-diene-8-carboxylate chloride Traditional Name: bicyclo[5.1.0]octa-3,5-diene-8-carboxylic acid 3-piperidin-1-ium-1-ylpropyl ester chloride Formula: C17H26ClNO2 MolecularWeight: 311.84684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCOC(=O)C2C3C2C=CC=CC3.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCCOC(=O)C2C3C2C=CC=CC3.[Cl-]

InChI

InChI=1S/C17H25NO2.ClH/c19-17(16-14-8-3-1-4-9-15(14)16)20-13-7-12-18-10-5-2-6-11-18;/h1,3-4,8,14-16H,2,5-7,9-13H2;1H