lithium (3S,4S)-4-(4-chlorophenyl)-1-methyl-piperidine-3-carboxylate

Systemtic Name: lithium (3S,4S)-4-(4-chlorophenyl)-1-methyl-piperidine-3-carboxylate Openeye Name: lithium (3S,4S)-4-(4-chlorophenyl)-1-methyl-piperidine-3-carboxylate CAS Name: lithium (3S,4S)-4-(4-chlorophenyl)-1-methyl-3-piperidinecarboxylate IUPAC Name: lithium (3S,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate Traditional Name: lithium (3S,4S)-4-(4-chlorophenyl)-1-methyl-nipecotate Formula: C13H15ClLiNO2 MolecularWeight: 259.6577

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CN1CCC(C(C1)C(=O)[O-])C2=CC=C(C=C2)Cl

Isomeric SMILES

[Li+].CN1CC[C@@H]([C@@H](C1)C(=O)[O-])C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H16ClNO2.Li/c1-15-7-6-11(12(8-15)13(16)17)9-2-4-10(14)5-3-9;/h2-5,11-12H,6-8H2,1H3,(H,16,17);/q;+1/p-1/t11-,12-;/m1./s1