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

Systemtic Name: 2-piperidin-1-ium-1-ylethyl bicyclo[5.1.0]octa-3,5-diene-8-carboxylate chloride Openeye Name: 2-piperidin-1-ium-1-ylethyl bicyclo[5.1.0]octa-3,5-diene-8-carboxylate chloride CAS Name: 8-bicyclo[5.1.0]octa-3,5-dienecarboxylic acid 2-(1-piperidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-piperidin-1-ium-1-ylethyl bicyclo[5.1.0]octa-3,5-diene-8-carboxylate chloride Traditional Name: bicyclo[5.1.0]octa-3,5-diene-8-carboxylic acid 2-piperidin-1-ium-1-ylethyl ester chloride Formula: C16H24ClNO2 MolecularWeight: 297.82026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2.ClH/c18-16(15-13-7-3-1-4-8-14(13)15)19-12-11-17-9-5-2-6-10-17;/h1,3-4,7,13-15H,2,5-6,8-12H2;1H