(1R,2R,4S,5S)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,?]nonan-9-ium-9-olate hydrobromide

CAS: 6106-81-6

Formula: C17H22BrNO5

SMILES: Br.C[N+]1([O-])[C@H]2CC(C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1

IUPAC: (1R,2R,4S,5S)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,?]nonan-9-ium-9-olate hydrobromide

InChI: InChI=1S/C17H21NO5.BrH/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11?,12-,13-,14+,15-,16+,18?;/m1./s1

Composition: C (51.01%), H (5.54%), Br (19.96%), N (3.50%), O (19.99%)

Molar Mass: 400.269

Atom Count: 46

Heavy Atom Count: 24