methyl 2-[(2S)-1-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[2-(2-naphthylamino)-2-oxo-ethyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-1-[2-(2-naphthalenylamino)-2-oxoethyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[2-(naphthalen-2-ylamino)-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[2-keto-2-(2-naphthylamino)ethyl]piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC[NH+]1CC(=O)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCC[NH+]1CC(=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H21N3O4/c1-26-18(24)11-16-19(25)20-8-9-22(16)12-17(23)21-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,25)(H,21,23)/p+1/t16-/m0/s1