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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC2=CC=CC3=CC=CC=C32

InChI

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