propyl 2-[(2S)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanoate

Systemtic Name: propyl 2-[(2S)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanoate Openeye Name: propyl 2-[(2S)-3-oxo-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-(3-pyridinylmethyl)-2-piperazin-1-iumyl]acetic acid propyl ester IUPAC Name: propyl 2-[(2S)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetic acid propyl ester Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3/c1-2-8-21-14(19)9-13-15(20)17-6-7-18(13)11-12-4-3-5-16-10-12/h3-5,10,13H,2,6-9,11H2,1H3,(H,17,20)/p+1/t13-/m0/s1