N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-[(2R)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-[(2R)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-[(2R)-3-keto-4H-1,4-benzoxazin-2-yl]acetamide Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CC2C(=O)NC3=CC=CC=C3O2)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C[C@@H]2C(=O)NC3=CC=CC=C3O2)C4=CC=CO4

InChI

InChI=1S/C20H23N3O4/c24-19(12-18-20(25)22-14-6-1-2-7-16(14)27-18)21-13-15(17-8-5-11-26-17)23-9-3-4-10-23/h1-2,5-8,11,15,18H,3-4,9-10,12-13H2,(H,21,24)(H,22,25)/p+1/t15-,18+/m0/s1