phenethyl 2-(3-oxidanylidenepiperazin-1-ium-2-yl)ethanoate

Systemtic Name: phenethyl 2-(3-oxidanylidenepiperazin-1-ium-2-yl)ethanoate Openeye Name: phenethyl 2-(3-oxopiperazin-1-ium-2-yl)acetate CAS Name: 2-(3-oxo-2-piperazin-1-iumyl)acetic acid phenethyl ester IUPAC Name: phenethyl 2-(3-oxopiperazin-1-ium-2-yl)acetate Traditional Name: 2-(3-ketopiperazin-1-ium-2-yl)acetic acid phenethyl ester Formula: C14H19N2O3+ MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

C1CNC(=O)C([NH2+]1)CC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O3/c17-13(10-12-14(18)16-8-7-15-12)19-9-6-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,16,18)/p+1