4-oxidanylidene-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]butanoate

Systemtic Name: 4-oxidanylidene-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]butanoate Openeye Name: 4-oxo-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]butanoate CAS Name: 4-oxo-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]-1-piperazin-4-iumyl]butanoate IUPAC Name: 4-oxo-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]butanoate Traditional Name: 4-keto-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]butyrate Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)CCC(=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H26N2O4/c1-17(23-13-15-24(16-14-23)21(25)11-12-22(26)27)18-7-9-20(10-8-18)28-19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,26,27)/t17-/m1/s1