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

Systemtic Name: 7-bromanyl-1-methanoyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-bromo-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-bromo-1-formyl-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-bromo-1-formyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-bromo-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C25H29BrN3O3+ MolecularWeight: 499.42006

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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)C=O

Isomeric SMILES

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

InChI

InChI=1S/C25H29BrN3O3/c1-28(23-5-3-2-4-6-23)25(31)19-9-12-29(18-30,17-27-22-10-13-32-14-11-22)24-8-7-21(26)16-20(24)15-19/h2-8,15-16,18,22,27H,9-14,17H2,1H3/q+1