2-(4-methylpiperazin-4-ium-1-yl)ethyl bicyclo[5.1.0]octa-3,5-diene-8-carboxylate chloride

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)ethyl bicyclo[5.1.0]octa-3,5-diene-8-carboxylate chloride Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)ethyl bicyclo[5.1.0]octa-3,5-diene-8-carboxylate chloride CAS Name: 8-bicyclo[5.1.0]octa-3,5-dienecarboxylic acid 2-(4-methyl-1-piperazin-4-iumyl)ethyl ester chloride IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)ethyl 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-(4-methylpiperazin-4-ium-1-yl)ethyl ester chloride Formula: C16H25ClN2O2 MolecularWeight: 312.8349

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCOC(=O)C2C3C2C=CC=CC3.[Cl-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCOC(=O)C2C3C2C=CC=CC3.[Cl-]

InChI

InChI=1S/C16H24N2O2.ClH/c1-17-7-9-18(10-8-17)11-12-20-16(19)15-13-5-3-2-4-6-14(13)15;/h2-5,13-15H,6-12H2,1H3;1H