5-(phenylmethoxymethyl)-3-(4-pyridin-1-ium-1-ylbutyl)-1,3-oxazolidin-2-one bromide

Systemtic Name: 5-(phenylmethoxymethyl)-3-(4-pyridin-1-ium-1-ylbutyl)-1,3-oxazolidin-2-one bromide Openeye Name: 5-(benzyloxymethyl)-3-(4-pyridin-1-ium-1-ylbutyl)oxazolidin-2-one bromide CAS Name: 5-(phenylmethoxymethyl)-3-[4-(1-pyridin-1-iumyl)butyl]-2-oxazolidinone bromide IUPAC Name: 5-(phenylmethoxymethyl)-3-(4-pyridin-1-ium-1-ylbutyl)-1,3-oxazolidin-2-one bromide Traditional Name: 5-(benzoxymethyl)-3-(4-pyridin-1-ium-1-ylbutyl)oxazolidin-2-one bromide Formula: C20H25BrN2O3 MolecularWeight: 421.3281

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)N1CCCC[N+]2=CC=CC=C2)COCC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1C(OC(=O)N1CCCC[N+]2=CC=CC=C2)COCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H25N2O3.BrH/c23-20-22(14-8-7-13-21-11-5-2-6-12-21)15-19(25-20)17-24-16-18-9-3-1-4-10-18;/h1-6,9-12,19H,7-8,13-17H2;1H/q+1;/p-1