2-pyrrolidin-1-ium-1-ylethyl 4-propoxybenzoate chloride

Systemtic Name: 2-pyrrolidin-1-ium-1-ylethyl 4-propoxybenzoate chloride Openeye Name: 2-pyrrolidin-1-ium-1-ylethyl 4-propoxybenzoate chloride CAS Name: 4-propoxybenzoic acid 2-(1-pyrrolidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-pyrrolidin-1-ium-1-ylethyl 4-propoxybenzoate chloride Traditional Name: 4-propoxybenzoic acid 2-pyrrolidin-1-ium-1-ylethyl ester chloride Formula: C16H24ClNO3 MolecularWeight: 313.81966

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC[NH+]2CCCC2.[Cl-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC[NH+]2CCCC2.[Cl-]

InChI

InChI=1S/C16H23NO3.ClH/c1-2-12-19-15-7-5-14(6-8-15)16(18)20-13-11-17-9-3-4-10-17;/h5-8H,2-4,9-13H2,1H3;1H