propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid propyl ester IUPAC Name: propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-1-(3,5-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]acetic acid propyl ester Formula: C18H27N2O5+ MolecularWeight: 351.41738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5/c1-4-7-25-17(21)11-16-18(22)19-5-6-20(16)12-13-8-14(23-2)10-15(9-13)24-3/h8-10,16H,4-7,11-12H2,1-3H3,(H,19,22)/p+1/t16-/m0/s1