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

CAS: 149-64-4

Formula: C21H30BrNO4

SMILES: [Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])[N@@+]1(C)CCCC)OC(=O)C(CO)C1=CC=CC=C1

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

InChI: InChI=1S/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15-,16?,17-,18+,19-,20+,22-;

Composition: C (57.28%), H (6.87%), Br (18.14%), N (3.18%), O (14.53%)

Molar Mass: 440.378

Atom Count: 57

Heavy Atom Count: 27