sodium 5-(4-fluorophenyl)carbonyl-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: sodium 5-(4-fluorophenyl)carbonyl-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: sodium 5-(4-fluorobenzoyl)-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: sodium 5-[(4-fluorophenyl)-oxomethyl]-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate IUPAC Name: sodium 5-(4-fluorobenzoyl)-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: sodium 5-(4-fluorobenzoyl)-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Formula: C18H17FNNaO3 MolecularWeight: 337.320653

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2CCC(C2=C1)C(=O)[O-])C(=O)C3=CC=C(C=C3)F.[Na+]

Isomeric SMILES

CCCC1=C(N2CCC(C2=C1)C(=O)[O-])C(=O)C3=CC=C(C=C3)F.[Na+]

InChI

InChI=1S/C18H18FNO3.Na/c1-2-3-12-10-15-14(18(22)23)8-9-20(15)16(12)17(21)11-4-6-13(19)7-5-11;/h4-7,10,14H,2-3,8-9H2,1H3,(H,22,23);/q;+1/p-1