sodium 4-aminocarbonyl-2-[2,2-dimethyl-3-oxidanylidene-3-[(trimethylazaniumyl)methylamino]propyl]hexanoate

Systemtic Name: sodium 4-aminocarbonyl-2-[2,2-dimethyl-3-oxidanylidene-3-[(trimethylazaniumyl)methylamino]propyl]hexanoate Openeye Name: sodium 4-carbamoyl-2-[2,2-dimethyl-3-oxo-3-[(trimethylammonio)methylamino]propyl]hexanoate CAS Name: sodium 4-carbamoyl-2-[2,2-dimethyl-3-oxo-3-[(trimethylammonio)methylamino]propyl]hexanoate IUPAC Name: sodium 4-carbamoyl-2-[2,2-dimethyl-3-oxo-3-[(trimethylazaniumyl)methylamino]propyl]hexanoate Traditional Name: sodium 4-carbamoyl-2-[3-keto-2,2-dimethyl-3-[(trimethylammonio)methylamino]propyl]hexanoate Formula: C16H31N3NaO4+ MolecularWeight: 352.42481

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)(C)C(=O)NC[N+](C)(C)C)C(=O)[O-])C(=O)N.[Na+]

Isomeric SMILES

CCC(CC(CC(C)(C)C(=O)NC[N+](C)(C)C)C(=O)[O-])C(=O)N.[Na+]

InChI

InChI=1S/C16H31N3O4.Na/c1-7-11(13(17)20)8-12(14(21)22)9-16(2,3)15(23)18-10-19(4,5)6;/h11-12H,7-10H2,1-6H3,(H3-,17,18,20,21,22,23);/q;+1