3-morpholin-4-ium-4-ylpropyl 2-cyclohepta-2,4,6-trien-1-ylethanoate chloride

Systemtic Name: 3-morpholin-4-ium-4-ylpropyl 2-cyclohepta-2,4,6-trien-1-ylethanoate chloride Openeye Name: 3-morpholin-4-ium-4-ylpropyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride CAS Name: 2-(1-cyclohepta-2,4,6-trienyl)acetic acid 3-(4-morpholin-4-iumyl)propyl ester chloride IUPAC Name: 3-morpholin-4-ium-4-ylpropyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride Traditional Name: 2-cyclohepta-2,4,6-trien-1-ylacetic acid 3-morpholin-4-ium-4-ylpropyl ester chloride Formula: C16H24ClNO3 MolecularWeight: 313.81966

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCOC(=O)CC2C=CC=CC=C2.[Cl-]

Isomeric SMILES

C1COCC[NH+]1CCCOC(=O)CC2C=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H23NO3.ClH/c18-16(14-15-6-3-1-2-4-7-15)20-11-5-8-17-9-12-19-13-10-17;/h1-4,6-7,15H,5,8-14H2;1H