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

Systemtic Name: 2-(3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(3-keto-1,4-benzoxazin-4-yl)-N-[2-(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=CC=C2CNC(=O)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CN3C(=O)COC4=CC=CC=C43

InChI

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