2-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: 2-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethanoate Openeye Name: 2-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-2-oxo-acetate CAS Name: 2-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-piperazin-4-iumyl]-2-oxoacetate IUPAC Name: 2-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-2-oxoacetate Traditional Name: 2-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-2-keto-acetate Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)C(=O)C(=O)[O-]

Isomeric SMILES

C[C@H](C1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)C(=O)C(=O)[O-]

InChI

InChI=1S/C16H22N2O5/c1-11(12-4-5-13(22-2)14(10-12)23-3)17-6-8-18(9-7-17)15(19)16(20)21/h4-5,10-11H,6-9H2,1-3H3,(H,20,21)/t11-/m1/s1