N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-carboxamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-carboxamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-keto-4H-1,4-benzoxazine-7-carboxamide Formula: C21H23ClN3O3+ MolecularWeight: 400.87862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=C(C=C2)NC(=O)CO3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=C(C=C2)NC(=O)CO3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN3O3/c22-16-6-2-1-5-15(16)18(25-9-3-4-10-25)12-23-21(27)14-7-8-17-19(11-14)28-13-20(26)24-17/h1-2,5-8,11,18H,3-4,9-10,12-13H2,(H,23,27)(H,24,26)/p+1/t18-/m0/s1