2-[(2R)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(2R)-3-keto-4H-1,4-benzoxazin-2-yl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O3/c26-21(13-20-22(27)24-18-5-1-2-6-19(18)28-20)23-14-16-7-9-17(10-8-16)15-25-11-3-4-12-25/h1-2,5-10,20H,3-4,11-15H2,(H,23,26)(H,24,27)/p+1/t20-/m1/s1