dimethyl-[1-[[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoylamino]methyl]cycloheptyl]azanium

Systemtic Name: dimethyl-[1-[[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoylamino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]methyl]cycloheptyl]azanium Traditional Name: [1-[[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]methyl]cycloheptyl]-dimethyl-ammonium Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C21H31N3O3/c1-23(2)21(12-7-3-4-8-13-21)16-22-19(25)15-24-17-9-5-6-10-18(17)27-14-11-20(24)26/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3,(H,22,25)/p+1