2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenol chloride hydrate

Systemtic Name: 2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenol chloride hydrate Openeye Name: 2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenol chloride hydrate CAS Name: 2,5-dimethyl-4-(4-morpholin-4-iumylmethyl)phenol chloride hydrate IUPAC Name: 2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenol chloride hydrate Traditional Name: 2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenol chloride hydrate Formula: C13H22ClNO3 MolecularWeight: 275.77168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCOCC2)C)O.O.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCOCC2)C)O.O.[Cl-]

InChI

InChI=1S/C13H19NO2.ClH.H2O/c1-10-8-13(15)11(2)7-12(10)9-14-3-5-16-6-4-14;;/h7-8,15H,3-6,9H2,1-2H3;1H;1H2