2-[(2R)-6-chloranyl-3-oxidanylidene-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2R)-6-chloranyl-3-oxidanylidene-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2R)-6-chloro-3-oxo-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2R)-6-chloro-3-oxo-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2R)-6-chloro-3-oxo-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2R)-6-chloro-3-keto-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-2-yl]acetate Formula: C16H19ClN2O4 MolecularWeight: 338.78606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C3=C(C=CC(=C3)Cl)OC(C2=O)CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCN2C3=C(C=CC(=C3)Cl)O[C@@H](C2=O)CC(=O)[O-]

InChI

InChI=1S/C16H19ClN2O4/c17-11-3-4-13-12(9-11)19(8-7-18-5-1-2-6-18)16(22)14(23-13)10-15(20)21/h3-4,9,14H,1-2,5-8,10H2,(H,20,21)/t14-/m1/s1