sodium; carboxymethyl(trimethyl)azanium; 2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoate

Systemtic Name: sodium; carboxymethyl(trimethyl)azanium; 2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoate Openeye Name: sodium; carboxymethyl(trimethyl)ammonium; 2-[4-(1-oxoisoindolin-2-yl)phenyl]propanoate CAS Name: sodium; carboxymethyl(trimethyl)ammonium; 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoate IUPAC Name: sodium; carboxymethyl(trimethyl)azanium; 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoate Traditional Name: sodium; carboxymethyl(trimethyl)ammonium; 2-[4-(1-ketoisoindolin-2-yl)phenyl]propionate Formula: C22H26N2NaO5+ MolecularWeight: 421.44201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)[O-].C[N+](C)(C)CC(=O)O.[Na+]

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)[O-].C[N+](C)(C)CC(=O)O.[Na+]

InChI

InChI=1S/C17H15NO3.C5H11NO2.Na/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19;1-6(2,3)4-5(7)8;/h2-9,11H,10H2,1H3,(H,20,21);4H2,1-3H3;/q;;+1