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

Systemtic Name: 7-bromanyl-N,1-dimethyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-bromo-N,1-dimethyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-bromo-N,1-dimethyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-bromo-N,1-dimethyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-bromo-N,1-dimethyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C25H31BrN3O2+ MolecularWeight: 485.43654

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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)(C)CNC4CCOCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H31BrN3O2/c1-28(23-6-4-3-5-7-23)25(30)19-10-13-29(2,18-27-22-11-14-31-15-12-22)24-9-8-21(26)17-20(24)16-19/h3-9,16-17,22,27H,10-15,18H2,1-2H3/q+1