dimethyl-[(1S)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CN1C(=O)CCOC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CN1C(=O)CCOC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-23(2)18(16-8-4-3-5-9-16)14-22-20(25)15-24-17-10-6-7-11-19(17)27-13-12-21(24)26/h3-11,18H,12-15H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1