(3-ethyl-7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-yl) 4-chloranylbenzoate chloride

Systemtic Name: (3-ethyl-7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-yl) 4-chloranylbenzoate chloride Openeye Name: (3-ethyl-7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate chloride CAS Name: 4-chlorobenzoic acid (3-ethyl-7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-yl) ester chloride IUPAC Name: (3-ethyl-7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate chloride Traditional Name: 4-chlorobenzoic acid (3-ethyl-7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-yl) ester chloride Formula: C17H24Cl2N2O2 MolecularWeight: 359.29066

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC2C[NH+](CC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)C.[Cl-]

Isomeric SMILES

CCN1CC2C[NH+](CC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)C.[Cl-]

InChI

InChI=1S/C17H23ClN2O2.ClH/c1-3-20-10-13-8-19(2)9-14(11-20)16(13)22-17(21)12-4-6-15(18)7-5-12;/h4-7,13-14,16H,3,8-11H2,1-2H3;1H