3-pyrrolidin-1-ium-1-ylpropyl benzoate chloride

Systemtic Name: 3-pyrrolidin-1-ium-1-ylpropyl benzoate chloride Openeye Name: 3-pyrrolidin-1-ium-1-ylpropyl benzoate chloride CAS Name: benzoic acid 3-(1-pyrrolidin-1-iumyl)propyl ester chloride IUPAC Name: 3-pyrrolidin-1-ium-1-ylpropyl benzoate chloride Traditional Name: benzoic acid 3-pyrrolidin-1-ium-1-ylpropyl ester chloride Formula: C14H20ClNO2 MolecularWeight: 269.7671

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCOC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

C1CC[NH+](C1)CCCOC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C14H19NO2.ClH/c16-14(13-7-2-1-3-8-13)17-12-6-11-15-9-4-5-10-15;/h1-3,7-8H,4-6,9-12H2;1H