2-[(2S)-3-oxidanylidene-2-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-4-yl]ethanoate

Systemtic Name: 2-[(2S)-3-oxidanylidene-2-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-4-yl]ethanoate Openeye Name: 2-[(2S)-3-oxo-2-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-3-oxo-2-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-4-yl]acetate IUPAC Name: 2-[(2S)-3-oxo-2-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-3-keto-2-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-4-yl]acetate Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCC2C(=O)N(C3=CC=CC=C3O2)CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC[C@H]2C(=O)N(C3=CC=CC=C3O2)CC(=O)[O-]

InChI

InChI=1S/C16H20N2O4/c19-15(20)11-18-12-5-1-2-6-13(12)22-14(16(18)21)7-10-17-8-3-4-9-17/h1-2,5-6,14H,3-4,7-11H2,(H,19,20)/t14-/m0/s1