tert-butyl 7-bromanyl-1-(2-methoxyethyl)-2,3-dihydro-1-benzazepin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 7-bromanyl-1-(2-methoxyethyl)-2,3-dihydro-1-benzazepin-1-ium-1-carboxylate Openeye Name: tert-butyl 7-bromo-1-(2-methoxyethyl)-2,3-dihydro-1-benzazepin-1-ium-1-carboxylate CAS Name: 7-bromo-1-(2-methoxyethyl)-2,3-dihydro-1-benzazepin-1-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-bromo-1-(2-methoxyethyl)-2,3-dihydro-1-benzazepin-1-ium-1-carboxylate Traditional Name: 7-bromo-1-(2-methoxyethyl)-2,3-dihydro-1-benzazepin-1-ium-1-carboxylic acid tert-butyl ester Formula: C18H25BrNO3+ MolecularWeight: 383.3

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC=CC2=C1C=CC(=C2)Br)CCOC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC=CC2=C1C=CC(=C2)Br)CCOC

InChI

InChI=1S/C18H25BrNO3/c1-18(2,3)23-17(21)20(11-12-22-4)10-6-5-7-14-13-15(19)8-9-16(14)20/h5,7-9,13H,6,10-12H2,1-4H3/q+1