N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C22H24ClN4O5+ MolecularWeight: 459.90276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C22H23ClN4O5/c23-17-6-2-1-5-16(17)19(25-9-3-4-10-25)12-24-21(28)13-26-18-11-15(27(30)31)7-8-20(18)32-14-22(26)29/h1-2,5-8,11,19H,3-4,9-10,12-14H2,(H,24,28)/p+1/t19-/m0/s1