C16H17NOS.C2H2O4

2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methylazanium;2-hydroxy-2-oxoacetate

Also Known As: AC1L1HUR|N-Methyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine ethanedioate|11-(2-Methylaminoethyl)-11H-dibenz(b,f)-1,4-oxathiepin hydrogen oxalate|11H-DIBENZ(b,f)-1,4-OXATHIEPIN-11-ETHANAMINE, N-METHYL-, ETHANEDIOATE|2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methylazanium; 2-hydroxy-2-oxoacetate

Molecular Formula	C18H19NO5S
Molecular Weight	361.0984 g/mol
LogP	1.03
Topological Polar Surface Area	103.27 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	361.0984
Heavy Atoms	25
Complexity	737.8

Chemical Identifiers

CAS Number	82387-09-5
SMILES	C[NH2+]CCC1C2=CC=CC=C2OC3=CC=CC=C3S1.C(=O)(C(=O)[O-])O