2-azanyl-1-cyclohexyl-6-methyl-heptane-3,4-diol; 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; 2-hydroxyethyl(trimethyl)azanium

Systemtic Name: 2-azanyl-1-cyclohexyl-6-methyl-heptane-3,4-diol; 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; 2-hydroxyethyl(trimethyl)azanium Openeye Name: 2-amino-1-cyclohexyl-6-methyl-heptane-3,4-diol; 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate; 2-hydroxyethyl(trimethyl)ammonium CAS Name: 2-amino-1-cyclohexyl-6-methylheptane-3,4-diol; 3-carboxy-3,5-dihydroxy-5-oxopentanoate; 2-hydroxyethyl(trimethyl)ammonium IUPAC Name: 2-amino-1-cyclohexyl-6-methylheptane-3,4-diol; 3-carboxy-3,5-dihydroxy-5-oxopentanoate; 2-hydroxyethyl(trimethyl)azanium Traditional Name: 2-amino-1-cyclohexyl-6-methyl-heptane-3,4-diol; 3-carboxy-3,5-dihydroxy-5-keto-valerate; 2-hydroxyethyl(trimethyl)ammonium Formula: C25H50N2O10 MolecularWeight: 538.6719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)N)O)O.C[N+](C)(C)CCO.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O

Isomeric SMILES

CC(C)CC(C(C(CC1CCCCC1)N)O)O.C[N+](C)(C)CCO.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O

InChI

InChI=1S/C14H29NO2.C6H8O7.C5H14NO/c1-10(2)8-13(16)14(17)12(15)9-11-6-4-3-5-7-11;7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7/h10-14,16-17H,3-9,15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3/q;;+1/p-1