3-acetyloxy-4-[dimethyl(6-oxidanylhexylcarbamoyl)azaniumyl]butanoate; carbonic acid; 1-(4-nitrophenyl)propan-2-ol

Systemtic Name: 3-acetyloxy-4-[dimethyl(6-oxidanylhexylcarbamoyl)azaniumyl]butanoate; carbonic acid; 1-(4-nitrophenyl)propan-2-ol Openeye Name: 3-acetoxy-4-[6-hydroxyhexylcarbamoyl(dimethyl)ammonio]butanoate; carbonic acid; 1-(4-nitrophenyl)propan-2-ol CAS Name: 3-acetyloxy-4-[[(6-hydroxyhexylamino)-oxomethyl]-dimethylammonio]butanoate; carbonic acid; 1-(4-nitrophenyl)-2-propanol IUPAC Name: 3-acetyloxy-4-[6-hydroxyhexylcarbamoyl(dimethyl)azaniumyl]butanoate; carbonic acid; 1-(4-nitrophenyl)propan-2-ol Traditional Name: 3-acetoxy-4-[6-hydroxyhexylcarbamoyl(dimethyl)ammonio]butyrate; carbonic acid; 1-(4-nitrophenyl)propan-2-ol Formula: C25H41N3O12 MolecularWeight: 575.60594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)[N+](=O)[O-])O.CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C(=O)NCCCCCCO.C(=O)(O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)[N+](=O)[O-])O.CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C(=O)NCCCCCCO.C(=O)(O)O

InChI

InChI=1S/C15H28N2O6.C9H11NO3.CH2O3/c1-12(19)23-13(10-14(20)21)11-17(2,3)15(22)16-8-6-4-5-7-9-18;1-7(11)6-8-2-4-9(5-3-8)10(12)13;2-1(3)4/h13,18H,4-11H2,1-3H3,(H-,16,20,21,22);2-5,7,11H,6H2,1H3;(H2,2,3,4)