(2R)-4-ethanoyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-ethanoyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-acetyl-N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-acetyl-N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-acetyl-N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-acetyl-N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H29N4O4+ MolecularWeight: 437.51146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C[C@@H](OC2=CC=CC=C21)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O4/c1-17(29)28-15-22(32-21-10-6-5-9-20(21)28)24(31)26-19-11-13-27(14-12-19)16-23(30)25-18-7-3-2-4-8-18/h2-10,19,22H,11-16H2,1H3,(H,25,30)(H,26,31)/p+1/t22-/m1/s1