7-bromanyl-1-ethyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide

Systemtic Name: 7-bromanyl-1-ethyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-bromo-1-ethyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-bromo-1-ethyl-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-bromo-1-ethyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-bromo-1-ethyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C26H33BrN3O2+ MolecularWeight: 499.46312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(=CC2=C1C=CC(=C2)Br)C(=O)N(C)C3=CC=CC=C3)CNC4CCOCC4

Isomeric SMILES

CC[N+]1(CCC(=CC2=C1C=CC(=C2)Br)C(=O)N(C)C3=CC=CC=C3)CNC4CCOCC4

InChI

InChI=1S/C26H33BrN3O2/c1-3-30(19-28-23-12-15-32-16-13-23)14-11-20(17-21-18-22(27)9-10-25(21)30)26(31)29(2)24-7-5-4-6-8-24/h4-10,17-18,23,28H,3,11-16,19H2,1-2H3/q+1