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

Systemtic Name: (2R)-4-ethanoyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-acetyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-acetyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-acetyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-acetyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC(=O)N1C[C@@H](OC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H29N3O3/c1-18(28)27-17-23(30-22-8-4-3-7-21(22)27)24(29)25-15-19-9-11-20(12-10-19)16-26-13-5-2-6-14-26/h3-4,7-12,23H,2,5-6,13-17H2,1H3,(H,25,29)/p+1/t23-/m1/s1