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

Systemtic Name: dimethyl-[1-[[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoylamino]methyl]cyclohexyl]azanium Openeye Name: dimethyl-[1-[[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]methyl]cyclohexyl]ammonium CAS Name: dimethyl-[1-[[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethyl]amino]methyl]cyclohexyl]ammonium IUPAC Name: dimethyl-[1-[[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]methyl]cyclohexyl]azanium Traditional Name: [1-[[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]methyl]cyclohexyl]-dimethyl-ammonium Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)CNC(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

C[NH+](C)C1(CCCCC1)CNC(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C20H29N3O3/c1-22(2)20(11-6-3-7-12-20)15-21-18(24)14-23-16-8-4-5-9-17(16)26-13-10-19(23)25/h4-5,8-9H,3,6-7,10-15H2,1-2H3,(H,21,24)/p+1