(9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 4-ethoxybenzoate chloride

Systemtic Name: (9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 4-ethoxybenzoate chloride Openeye Name: (9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 4-ethoxybenzoate chloride CAS Name: 4-ethoxybenzoic acid (9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) ester chloride IUPAC Name: (9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 4-ethoxybenzoate chloride Traditional Name: 4-ethoxybenzoic acid (9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) ester chloride Formula: C19H28ClNO3 MolecularWeight: 353.88352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2CC3CCCC(C2)[N+]3(C)C.[Cl-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC2CC3CCCC(C2)[N+]3(C)C.[Cl-]

InChI

InChI=1S/C19H28NO3.ClH/c1-4-22-17-10-8-14(9-11-17)19(21)23-18-12-15-6-5-7-16(13-18)20(15,2)3;/h8-11,15-16,18H,4-7,12-13H2,1-3H3;1H/q+1;/p-1