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

Systemtic Name: ethyl 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-veratryl-piperazin-1-ium-2-yl]acetic acid ethyl ester Formula: C17H25N2O5+ MolecularWeight: 337.3908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H24N2O5/c1-4-24-16(20)10-13-17(21)18-7-8-19(13)11-12-5-6-14(22-2)15(9-12)23-3/h5-6,9,13H,4,7-8,10-11H2,1-3H3,(H,18,21)/p+1/t13-/m1/s1