2-pyrrolidin-1-ium-1-ylethyl 2-oxidanyl-4-propoxy-benzoate

Systemtic Name: 2-pyrrolidin-1-ium-1-ylethyl 2-oxidanyl-4-propoxy-benzoate Openeye Name: 2-pyrrolidin-1-ium-1-ylethyl 2-hydroxy-4-propoxy-benzoate CAS Name: 2-hydroxy-4-propoxybenzoic acid 2-(1-pyrrolidin-1-iumyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ium-1-ylethyl 2-hydroxy-4-propoxybenzoate Traditional Name: 2-hydroxy-4-propoxy-benzoic acid 2-pyrrolidin-1-ium-1-ylethyl ester Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4/c1-2-10-20-13-5-6-14(15(18)12-13)16(19)21-11-9-17-7-3-4-8-17/h5-6,12,18H,2-4,7-11H2,1H3/p+1