lithium 5-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

Systemtic Name: lithium 5-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate Openeye Name: lithium 5-[4-(4-benzylpiperazin-1-yl)phenyl]-4,5-dihydroisoxazole-3-carboxylate CAS Name: lithium 5-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-4,5-dihydroisoxazole-3-carboxylate IUPAC Name: lithium 5-[4-(4-benzylpiperazin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate Traditional Name: lithium 5-[4-(4-benzylpiperazino)phenyl]-2-isoxazoline-3-carboxylate Formula: C21H22LiN3O3 MolecularWeight: 371.35868

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)C4CC(=NO4)C(=O)[O-]

Isomeric SMILES

[Li+].C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)C4CC(=NO4)C(=O)[O-]

InChI

InChI=1S/C21H23N3O3.Li/c25-21(26)19-14-20(27-22-19)17-6-8-18(9-7-17)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16;/h1-9,20H,10-15H2,(H,25,26);/q;+1/p-1