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

Systemtic Name: (9-azanyl-5,6,7,8-tetrahydroacridin-1-yl) propaneperoxoate hydrate Openeye Name: (9-amino-5,6,7,8-tetrahydroacridin-1-yl) propaneperoxoate hydrate CAS Name: propaneperoxoic acid (9-amino-5,6,7,8-tetrahydroacridin-1-yl) ester hydrate IUPAC Name: (9-amino-5,6,7,8-tetrahydroacridin-1-yl) propaneperoxoate hydrate Traditional Name: peroxypropionic acid (9-amino-5,6,7,8-tetrahydroacridin-1-yl) ester hydrate Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3.H2O/c1-2-14(19)21-20-13-9-5-8-12-15(13)16(17)10-6-3-4-7-11(10)18-12;/h5,8-9H,2-4,6-7H2,1H3,(H2,17,18);1H2