(11-azaniumyl-5-carboxy-1-oxidanyl-1-oxidanylidene-undecan-6-yl)azanium; [6-azaniumyl-1-(7-oxidanylideneazepan-2-yl)hexyl]azanium

Systemtic Name: (11-azaniumyl-5-carboxy-1-oxidanyl-1-oxidanylidene-undecan-6-yl)azanium; [6-azaniumyl-1-(7-oxidanylideneazepan-2-yl)hexyl]azanium Openeye Name: (6-azaniumyl-7-carboxy-11-hydroxy-11-oxo-undecyl)ammonium; [6-azaniumyl-1-(7-oxoazepan-2-yl)hexyl]ammonium CAS Name: (11-ammonio-5-carboxy-1-hydroxy-1-oxoundecan-6-yl)ammonium; [6-ammonio-1-(7-oxo-2-azepanyl)hexyl]ammonium IUPAC Name: (11-azaniumyl-5-carboxy-1-hydroxy-1-oxoundecan-6-yl)azanium; [6-azaniumyl-1-(7-oxoazepan-2-yl)hexyl]azanium Traditional Name: (6-ammonio-7-carboxy-11-hydroxy-11-keto-undecyl)ammonium; [6-ammonio-1-(7-ketoazepan-2-yl)hexyl]ammonium Formula: C24H53N5O5+4 MolecularWeight: 491.70812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)C(CCCCC[NH3+])[NH3+].C(CCC(C(CCCC(=O)O)C(=O)O)[NH3+])CC[NH3+]

Isomeric SMILES

C1CCC(=O)NC(C1)C(CCCCC[NH3+])[NH3+].C(CCC(C(CCCC(=O)O)C(=O)O)[NH3+])CC[NH3+]

InChI

InChI=1S/C12H25N3O.C12H24N2O4/c13-9-5-1-2-6-10(14)11-7-3-4-8-12(16)15-11;13-8-3-1-2-6-10(14)9(12(17)18)5-4-7-11(15)16/h10-11H,1-9,13-14H2,(H,15,16);9-10H,1-8,13-14H2,(H,15,16)(H,17,18)/p+4