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

Systemtic Name: 3-piperidin-1-ium-1-ylpropyl 2-cyclohepta-2,4,6-trien-1-ylethanoate chloride Openeye Name: 3-piperidin-1-ium-1-ylpropyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride CAS Name: 2-(1-cyclohepta-2,4,6-trienyl)acetic acid 3-(1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-piperidin-1-ium-1-ylpropyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride Traditional Name: 2-cyclohepta-2,4,6-trien-1-ylacetic 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)CC2C=CC=CC=C2.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCCOC(=O)CC2C=CC=CC=C2.[Cl-]

InChI

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