(3R,4S,5R)-5-(hydroxymethyl)azepan-1-ium-3,4-diol chloride

Systemtic Name: (3R,4S,5R)-5-(hydroxymethyl)azepan-1-ium-3,4-diol chloride Openeye Name: (3R,4S,5R)-5-(hydroxymethyl)azepan-1-ium-3,4-diol chloride CAS Name: (3R,4S,5R)-5-(hydroxymethyl)azepan-1-ium-3,4-diol chloride IUPAC Name: (3R,4S,5R)-5-(hydroxymethyl)azepan-1-ium-3,4-diol chloride Traditional Name: (3R,4S,5R)-5-methylolazepan-1-ium-3,4-diol chloride Formula: C7H16ClNO3 MolecularWeight: 197.65984

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC(C(C1CO)O)O.[Cl-]

Isomeric SMILES

C1C[NH2+]C[C@H]([C@H]([C@H]1CO)O)O.[Cl-]

InChI

InChI=1S/C7H15NO3.ClH/c9-4-5-1-2-8-3-6(10)7(5)11;/h5-11H,1-4H2;1H/t5-,6-,7+;/m1./s1