3-(6-methoxynaphthalen-2-yl)-1,2-dimethyl-2,5-dihydro-1H-pyrrol-1-ium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: 3-(6-methoxynaphthalen-2-yl)-1,2-dimethyl-2,5-dihydro-1H-pyrrol-1-ium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: 3-(6-methoxy-2-naphthyl)-1,2-dimethyl-2,5-dihydro-1H-pyrrol-1-ium; 2,3,4-trihydroxy-4-oxo-butanoate CAS Name: 3-(6-methoxy-2-naphthalenyl)-1,2-dimethyl-2,5-dihydro-1H-pyrrol-1-ium; 2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: 3-(6-methoxynaphthalen-2-yl)-1,2-dimethyl-2,5-dihydro-1H-pyrrol-1-ium; 2,3,4-trihydroxy-4-oxobutanoate Traditional Name: 3-(6-methoxy-2-naphthyl)-1,2-dimethyl-3-pyrrolin-1-ium; 2,3,4-trihydroxy-4-keto-butyrate Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC[NH+]1C)C2=CC3=C(C=C2)C=C(C=C3)OC.C(C(C(=O)[O-])O)(C(=O)O)O

Isomeric SMILES

CC1C(=CC[NH+]1C)C2=CC3=C(C=C2)C=C(C=C3)OC.C(C(C(=O)[O-])O)(C(=O)O)O

InChI

InChI=1S/C17H19NO.C4H6O6/c1-12-17(8-9-18(12)2)15-5-4-14-11-16(19-3)7-6-13(14)10-15;5-1(3(7)8)2(6)4(9)10/h4-8,10-12H,9H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)