[(1S)-2-[[(2R)-4-ethanoyl-2,3-dihydro-1,4-benzoxazin-2-yl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[(2R)-4-ethanoyl-2,3-dihydro-1,4-benzoxazin-2-yl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazin-2-yl]-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC(C3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-15(25)24-14-20(27-19-12-8-7-11-17(19)24)21(26)22-13-18(23(2)3)16-9-5-4-6-10-16/h4-12,18,20H,13-14H2,1-3H3,(H,22,26)/p+1/t18-,20-/m1/s1