(9-azanyl-5,6,7,8-tetrahydroacridin-1-yl) butaneperoxoate hydrate

Systemtic Name: (9-azanyl-5,6,7,8-tetrahydroacridin-1-yl) butaneperoxoate hydrate Openeye Name: (9-amino-5,6,7,8-tetrahydroacridin-1-yl) butaneperoxoate hydrate CAS Name: butaneperoxoic acid (9-amino-5,6,7,8-tetrahydroacridin-1-yl) ester hydrate IUPAC Name: (9-amino-5,6,7,8-tetrahydroacridin-1-yl) butaneperoxoate hydrate Traditional Name: peroxybutyric acid (9-amino-5,6,7,8-tetrahydroacridin-1-yl) ester hydrate Formula: C17H22N2O4 MolecularWeight: 318.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OOC1=CC=CC2=C1C(=C3CCCCC3=N2)N.O

Isomeric SMILES

CCCC(=O)OOC1=CC=CC2=C1C(=C3CCCCC3=N2)N.O

InChI

InChI=1S/C17H20N2O3.H2O/c1-2-6-15(20)22-21-14-10-5-9-13-16(14)17(18)11-7-3-4-8-12(11)19-13;/h5,9-10H,2-4,6-8H2,1H3,(H2,18,19);1H2