[6-azaniumyl-1-(7-oxidanylideneazepan-2-yl)hexyl]azanium; hexanedioate

Systemtic Name: [6-azaniumyl-1-(7-oxidanylideneazepan-2-yl)hexyl]azanium; hexanedioate Openeye Name: [6-azaniumyl-1-(7-oxoazepan-2-yl)hexyl]ammonium; hexanedioate CAS Name: [6-ammonio-1-(7-oxo-2-azepanyl)hexyl]ammonium; hexanedioate IUPAC Name: [6-azaniumyl-1-(7-oxoazepan-2-yl)hexyl]azanium; hexanedioate Traditional Name: adipate; [6-ammonio-1-(7-ketoazepan-2-yl)hexyl]ammonium Formula: C18H35N3O5 MolecularWeight: 373.4876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25N3O.C6H10O4/c13-9-5-1-2-6-10(14)11-7-3-4-8-12(16)15-11;7-5(8)3-1-2-4-6(9)10/h10-11H,1-9,13-14H2,(H,15,16);1-4H2,(H,7,8)(H,9,10)