N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-6-chloranyl-4-methyl-3-oxidanylidene-1,4-benzoxazine-8-carboxamide

Systemtic Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-6-chloranyl-4-methyl-3-oxidanylidene-1,4-benzoxazine-8-carboxamide Openeye Name: 6-chloro-4-methyl-3-oxo-N-[(3S)-quinuclidin-1-ium-3-yl]-1,4-benzoxazine-8-carboxamide CAS Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide IUPAC Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide Traditional Name: 6-chloro-3-keto-4-methyl-N-[(3S)-quinuclidin-1-ium-3-yl]-1,4-benzoxazine-8-carboxamide Formula: C17H21ClN3O3+ MolecularWeight: 350.81994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=C1C=C(C=C2C(=O)NC3C[NH+]4CCC3CC4)Cl

Isomeric SMILES

CN1C(=O)COC2=C1C=C(C=C2C(=O)N[C@@H]3C[NH+]4CCC3CC4)Cl

InChI

InChI=1S/C17H20ClN3O3/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23)/p+1/t13-/m1/s1