N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C19H21N4O3+ MolecularWeight: 353.39504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=C([NH+]=CC=C3)N4CCCC4

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=C([NH+]=CC=C3)N4CCCC4

InChI

InChI=1S/C19H20N4O3/c1-12-18(24)22-15-11-13(6-7-16(15)26-12)21-19(25)14-5-4-8-20-17(14)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10H2,1H3,(H,21,25)(H,22,24)/p+1/t12-/m0/s1