3-[2,6-bis(azanyl)hexanoyloxy]-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-[2,6-bis(azanyl)hexanoyloxy]-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(2,6-diaminohexanoyloxy)-4-(trimethylammonio)butanoate CAS Name: 3-(2,6-diamino-1-oxohexoxy)-4-(trimethylammonio)butanoate IUPAC Name: 3-(2,6-diaminohexanoyloxy)-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(2,6-diaminohexanoyloxy)-4-(trimethylammonio)butyrate Formula: C13H27N3O4 MolecularWeight: 289.37118

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])OC(=O)C(CCCCN)N

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])OC(=O)C(CCCCN)N

InChI

InChI=1S/C13H27N3O4/c1-16(2,3)9-10(8-12(17)18)20-13(19)11(15)6-4-5-7-14/h10-11H,4-9,14-15H2,1-3H3