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

Systemtic Name: 3-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propanoate Openeye Name: 3-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-oxo-propanoate CAS Name: 3-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-piperazin-4-iumyl]-3-oxopropanoate IUPAC Name: 3-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-oxopropanoate Traditional Name: 3-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-keto-propionate Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5/c1-12(13-4-5-14(23-2)15(10-13)24-3)18-6-8-19(9-7-18)16(20)11-17(21)22/h4-5,10,12H,6-9,11H2,1-3H3,(H,21,22)/t12-/m1/s1