1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydro-1H-pyrrol-1-ium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: 1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydro-1H-pyrrol-1-ium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: 1,2-dimethyl-3-(2-naphthyl)-2,5-dihydro-1H-pyrrol-1-ium; 2,3,4-trihydroxy-4-oxo-butanoate CAS Name: 1,2-dimethyl-3-(2-naphthalenyl)-2,5-dihydro-1H-pyrrol-1-ium; 2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: 1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydro-1H-pyrrol-1-ium; 2,3,4-trihydroxy-4-oxobutanoate Traditional Name: 1,2-dimethyl-3-(2-naphthyl)-3-pyrrolin-1-ium; 2,3,4-trihydroxy-4-keto-butyrate Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC[NH+]1C)C2=CC3=CC=CC=C3C=C2.C(C(C(=O)[O-])O)(C(=O)O)O

Isomeric SMILES

CC1C(=CC[NH+]1C)C2=CC3=CC=CC=C3C=C2.C(C(C(=O)[O-])O)(C(=O)O)O

InChI

InChI=1S/C16H17N.C4H6O6/c1-12-16(9-10-17(12)2)15-8-7-13-5-3-4-6-14(13)11-15;5-1(3(7)8)2(6)4(9)10/h3-9,11-12H,10H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)