morpholine-4-carboxylate; 1-(phenylmethyl)pyridin-1-ium-3-ol; hydrobromide

Systemtic Name: morpholine-4-carboxylate; 1-(phenylmethyl)pyridin-1-ium-3-ol; hydrobromide Openeye Name: 1-benzylpyridin-1-ium-3-ol; morpholine-4-carboxylate; hydrobromide CAS Name: 4-morpholinecarboxylate; 1-(phenylmethyl)-3-pyridin-1-iumol; hydrobromide IUPAC Name: 1-benzylpyridin-1-ium-3-ol; morpholine-4-carboxylate; hydrobromide Traditional Name: 1-benzylpyridin-1-ium-3-ol; morpholine-4-carboxylate; hydrobromide Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)[O-].C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)O.Br

Isomeric SMILES

C1COCCN1C(=O)[O-].C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)O.Br

InChI

InChI=1S/C12H11NO.C5H9NO3.BrH/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;7-5(8)6-1-3-9-4-2-6;/h1-8,10H,9H2;1-4H2,(H,7,8);1H