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

Systemtic Name: 7-bromanyl-1-cyclopropyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-bromo-1-cyclopropyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-bromo-1-cyclopropyl-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-bromo-1-cyclopropyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-bromo-1-cyclopropyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C27H33BrN3O2+ MolecularWeight: 511.47382

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=CC(=C3)Br)[N+](CC2)(CNC4CCOCC4)C5CC5

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=CC(=C3)Br)[N+](CC2)(CNC4CCOCC4)C5CC5

InChI

InChI=1S/C27H33BrN3O2/c1-30(24-5-3-2-4-6-24)27(32)20-11-14-31(25-8-9-25,19-29-23-12-15-33-16-13-23)26-10-7-22(28)18-21(26)17-20/h2-7,10,17-18,23,25,29H,8-9,11-16,19H2,1H3/q+1