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

Systemtic Name: 2-[(2R)-3-oxidanylidene-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2R)-3-oxo-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-4-[2-(1-piperidin-1-iumyl)ethyl]-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2R)-3-oxo-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-2-yl]acetate Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3OC(C2=O)CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3O[C@@H](C2=O)CC(=O)[O-]

InChI

InChI=1S/C17H22N2O4/c20-16(21)12-15-17(22)19(11-10-18-8-4-1-5-9-18)13-6-2-3-7-14(13)23-15/h2-3,6-7,15H,1,4-5,8-12H2,(H,20,21)/t15-/m1/s1