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

Systemtic Name: ethyl 2-[1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-(2-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-(2-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 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]acetic acid ethyl ester Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H22N2O3/c1-2-24-18(22)12-17-19(23)20-9-10-21(17)13-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,17H,2,9-10,12-13H2,1H3,(H,20,23)/p+1