(3-chloranyl-2-oxidanyl-propyl)-dimethyl-(phenylmethyl)azanium methanoate

Systemtic Name: (3-chloranyl-2-oxidanyl-propyl)-dimethyl-(phenylmethyl)azanium methanoate Openeye Name: benzyl-(3-chloro-2-hydroxy-propyl)-dimethyl-ammonium formate CAS Name: (3-chloro-2-hydroxypropyl)-dimethyl-(phenylmethyl)ammonium formate IUPAC Name: benzyl-(3-chloro-2-hydroxypropyl)-dimethylazanium formate Traditional Name: benzyl-(3-chloro-2-hydroxy-propyl)-dimethyl-ammonium formate Formula: C13H20ClNO3 MolecularWeight: 273.7558

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=CC=C1)CC(CCl)O.C(=O)[O-]

Isomeric SMILES

C[N+](C)(CC1=CC=CC=C1)CC(CCl)O.C(=O)[O-]

InChI

InChI=1S/C12H19ClNO.CH2O2/c1-14(2,10-12(15)8-13)9-11-6-4-3-5-7-11;2-1-3/h3-7,12,15H,8-10H2,1-2H3;1H,(H,2,3)/q+1;/p-1