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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C21H25N3O3/c1-23(2)14-17(16-8-4-3-5-9-16)22-20(25)15-24-18-10-6-7-11-19(18)27-13-12-21(24)26/h3-11,17H,12-15H2,1-2H3,(H,22,25)/p+1/t17-/m1/s1