2-[1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[1-(2-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-(2-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[3-keto-1-(2-naphthylmethyl)piperazin-1-ium-2-yl]acetate Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H18N2O3/c20-16(21)10-15-17(22)18-7-8-19(15)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15H,7-8,10-11H2,(H,18,22)(H,20,21)