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

Systemtic Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-piperazin-4-iumyl]-4-oxobutanoate IUPAC Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-4-keto-butyrate Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5/c1-13(14-4-5-15(24-2)16(12-14)25-3)19-8-10-20(11-9-19)17(21)6-7-18(22)23/h4-5,12-13H,6-11H2,1-3H3,(H,22,23)/t13-/m1/s1