1-azoniabicyclo[2.2.2]octan-3-yl N-(3-propylphenyl)carbamate chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl N-(3-propylphenyl)carbamate chloride Openeye Name: quinuclidin-1-ium-3-yl N-(3-propylphenyl)carbamate chloride CAS Name: N-(3-propylphenyl)carbamic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl N-(3-propylphenyl)carbamate chloride Traditional Name: N-(3-propylphenyl)carbamic acid quinuclidin-1-ium-3-yl ester chloride Formula: C17H25ClN2O2 MolecularWeight: 324.8456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)NC(=O)OC2C[NH+]3CCC2CC3.[Cl-]

Isomeric SMILES

CCCC1=CC(=CC=C1)NC(=O)OC2C[NH+]3CCC2CC3.[Cl-]

InChI

InChI=1S/C17H24N2O2.ClH/c1-2-4-13-5-3-6-15(11-13)18-17(20)21-16-12-19-9-7-14(16)8-10-19;/h3,5-6,11,14,16H,2,4,7-10,12H2,1H3,(H,18,20);1H