2-pyrrolidin-1-ium-1-ylpropyl 2,6-dimethyl-4-propoxy-benzoate chloride

Systemtic Name: 2-pyrrolidin-1-ium-1-ylpropyl 2,6-dimethyl-4-propoxy-benzoate chloride Openeye Name: 2-pyrrolidin-1-ium-1-ylpropyl 2,6-dimethyl-4-propoxy-benzoate chloride CAS Name: 2,6-dimethyl-4-propoxybenzoic acid 2-(1-pyrrolidin-1-iumyl)propyl ester chloride IUPAC Name: 2-pyrrolidin-1-ium-1-ylpropyl 2,6-dimethyl-4-propoxybenzoate chloride Traditional Name: 2,6-dimethyl-4-propoxy-benzoic acid 2-pyrrolidin-1-ium-1-ylpropyl ester chloride Formula: C19H30ClNO3 MolecularWeight: 355.8994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO3.ClH/c1-5-10-22-17-11-14(2)18(15(3)12-17)19(21)23-13-16(4)20-8-6-7-9-20;/h11-12,16H,5-10,13H2,1-4H3;1H