3-oxidanylidene-3-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]propanoate

Systemtic Name: 3-oxidanylidene-3-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]propanoate Openeye Name: 3-oxo-3-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]propanoate CAS Name: 3-oxo-3-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]-1-piperazin-4-iumyl]propanoate IUPAC Name: 3-oxo-3-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]propanoate Traditional Name: 3-keto-3-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]propionate Formula: C21H24N2O4 MolecularWeight: 368.42626

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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)CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-16(22-11-13-23(14-12-22)20(24)15-21(25)26)17-7-9-19(10-8-17)27-18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H,25,26)/t16-/m1/s1