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2-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride

2-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride

Systemtic Name:2-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride
Openeye Name:2-(3-phenylpropyl)quinuclidin-1-ium-3-one chloride
CAS Name:2-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride
IUPAC Name:2-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride
Traditional Name:2-(3-phenylpropyl)quinuclidin-1-ium-3-one chloride
Formula: C16H22ClNO
MolecularWeight: 279.80498
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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(=O)C2CCCC3=CC=CC=C3.[Cl-]


Isomeric SMILES

C1C[NH+]2CCC1C(=O)C2CCCC3=CC=CC=C3.[Cl-]


InChI

InChI=1S/C16H21NO.ClH/c18-16-14-9-11-17(12-10-14)15(16)8-4-7-13-5-2-1-3-6-13;/h1-3,5-6,14-15H,4,7-12H2;1H


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