N-(1-azabicyclo[2.2.2]octan-3-yl)-7-azanyl-6-chloranyl-4-methyl-3-oxidanylidene-2,4-dihydro-1,3-benzoxazin-3-ium-8-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-7-azanyl-6-chloranyl-4-methyl-3-oxidanylidene-2,4-dihydro-1,3-benzoxazin-3-ium-8-carboxamide Openeye Name: 7-amino-6-chloro-4-methyl-3-oxo-N-quinuclidin-3-yl-2,4-dihydro-1,3-benzoxazin-3-ium-8-carboxamide CAS Name: 7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-2,4-dihydro-1,3-benzoxazin-3-ium-8-carboxamide IUPAC Name: 7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-2,4-dihydro-1,3-benzoxazin-3-ium-8-carboxamide Traditional Name: 7-amino-6-chloro-3-keto-4-methyl-N-quinuclidin-3-yl-2,4-dihydro-1,3-benzoxazin-3-ium-8-carboxamide Formula: C17H22ClN4O3+ MolecularWeight: 365.83458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C(=C2OC[N+]1=O)C(=O)NC3CN4CCC3CC4)N)Cl

Isomeric SMILES

CC1C2=CC(=C(C(=C2OC[N+]1=O)C(=O)NC3CN4CCC3CC4)N)Cl

InChI

InChI=1S/C17H21ClN4O3/c1-9-11-6-12(18)15(19)14(16(11)25-8-22(9)24)17(23)20-13-7-21-4-2-10(13)3-5-21/h6,9-10,13H,2-5,7-8H2,1H3,(H2-,19,20,23)/p+1