ethyl 2-[(2R)-1-[(6-methylpyridin-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[(2R)-1-[(6-methylpyridin-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-[(2R)-1-[(6-methyl-2-pyridyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-1-[(6-methylpyridin-2-yl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-[(6-methyl-2-pyridyl)methyl]piperazin-1-ium-2-yl]acetic acid ethyl ester Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=CC=CC(=N2)C

Isomeric SMILES

CCOC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC=CC(=N2)C

InChI

InChI=1S/C15H21N3O3/c1-3-21-14(19)9-13-15(20)16-7-8-18(13)10-12-6-4-5-11(2)17-12/h4-6,13H,3,7-10H2,1-2H3,(H,16,20)/p+1/t13-/m1/s1