(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol; 2-propylpentanoate; bromide

Systemtic Name: (1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol; 2-propylpentanoate; bromide Openeye Name: (1R,5S)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol; 2-propylpentanoate; bromide CAS Name: (1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol; 2-propylpentanoate; bromide IUPAC Name: (1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol; 2-propylpentanoate; bromide Traditional Name: (1R,5S)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol; 2-propylvalerate; bromide Formula: C19H37BrNO3- MolecularWeight: 407.40598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)[O-].CC(C)[N+]1(C2CCC1CC(C2)O)C.[Br-]

Isomeric SMILES

CCCC(CCC)C(=O)[O-].CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)O)C.[Br-]

InChI

InChI=1S/C11H22NO.C8H16O2.BrH/c1-8(2)12(3)9-4-5-10(12)7-11(13)6-9;1-3-5-7(6-4-2)8(9)10;/h8-11,13H,4-7H2,1-3H3;7H,3-6H2,1-2H3,(H,9,10);1H/q+1;;/p-2/t9-,10+,11?,12?;;