1-tert-butyl-5-morpholin-4-yl-7-oxidanyl-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium-8-olate

Systemtic Name: 1-tert-butyl-5-morpholin-4-yl-7-oxidanyl-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium-8-olate Openeye Name: 1-tert-butyl-7-hydroxy-5-morpholino-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium-8-olate CAS Name: 1-tert-butyl-7-hydroxy-5-(4-morpholinyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium-8-olate IUPAC Name: 1-tert-butyl-7-hydroxy-5-morpholin-4-yl-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium-8-olate Traditional Name: 1-tert-butyl-7-hydroxy-5-morpholino-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium-8-olate Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+]1CCCC(C2=CC(=C(C=C21)[O-])O)N3CCOCC3

Isomeric SMILES

CC(C)(C)[NH+]1CCCC(C2=CC(=C(C=C21)[O-])O)N3CCOCC3

InChI

InChI=1S/C18H28N2O3/c1-18(2,3)20-6-4-5-14(19-7-9-23-10-8-19)13-11-16(21)17(22)12-15(13)20/h11-12,14,21-22H,4-10H2,1-3H3