(2S)-4-ethanoyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-ethanoyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-acetyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-acetyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-acetyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-acetyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC(=O)N1C[C@H](OC2=CC=CC=C21)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C23H27N3O3/c1-17(27)26-16-22(29-21-11-5-4-10-20(21)26)23(28)24-14-18-8-2-3-9-19(18)15-25-12-6-7-13-25/h2-5,8-11,22H,6-7,12-16H2,1H3,(H,24,28)/p+1/t22-/m0/s1