4-azanyl-2-[2-chloranyl-2-(trimethylazaniumyl)ethyl]-5-methyl-3-oxidanylidene-heptanoate

Systemtic Name: 4-azanyl-2-[2-chloranyl-2-(trimethylazaniumyl)ethyl]-5-methyl-3-oxidanylidene-heptanoate Openeye Name: 4-amino-2-[2-chloro-2-(trimethylammonio)ethyl]-5-methyl-3-oxo-heptanoate CAS Name: 4-amino-2-[2-chloro-2-(trimethylammonio)ethyl]-5-methyl-3-oxoheptanoate IUPAC Name: 4-amino-2-[2-chloro-2-(trimethylazaniumyl)ethyl]-5-methyl-3-oxoheptanoate Traditional Name: 4-amino-2-[2-chloro-2-(trimethylammonio)ethyl]-3-keto-5-methyl-enanthate Formula: C13H25ClN2O3 MolecularWeight: 292.8022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C(CC([N+](C)(C)C)Cl)C(=O)[O-])N

Isomeric SMILES

CCC(C)C(C(=O)C(CC([N+](C)(C)C)Cl)C(=O)[O-])N

InChI

InChI=1S/C13H25ClN2O3/c1-6-8(2)11(15)12(17)9(13(18)19)7-10(14)16(3,4)5/h8-11H,6-7,15H2,1-5H3