3-(2-bromanyltetradecanoylsulfanyl)-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-(2-bromanyltetradecanoylsulfanyl)-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(2-bromotetradecanoylsulfanyl)-4-(trimethylammonio)butanoate CAS Name: 3-[(2-bromo-1-oxotetradecyl)thio]-4-(trimethylammonio)butanoate IUPAC Name: 3-(2-bromotetradecanoylsulfanyl)-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(2-bromotetradecanoylthio)-4-(trimethylammonio)butyrate Formula: C21H40BrNO3S MolecularWeight: 466.5162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)SC(CC(=O)[O-])C[N+](C)(C)C)Br

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)SC(CC(=O)[O-])C[N+](C)(C)C)Br

InChI

InChI=1S/C21H40BrNO3S/c1-5-6-7-8-9-10-11-12-13-14-15-19(22)21(26)27-18(16-20(24)25)17-23(2,3)4/h18-19H,5-17H2,1-4H3