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

Systemtic Name: 7-bromanyl-1-(2-ethoxyethyl)-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-bromo-1-(2-ethoxyethyl)-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-bromo-1-(2-ethoxyethyl)-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-bromo-1-(2-ethoxyethyl)-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-bromo-1-(2-ethoxyethyl)-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C28H37BrN3O3+ MolecularWeight: 543.51568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37BrN3O3/c1-3-34-18-15-32(21-30-25-12-16-35-17-13-25)14-11-22(19-23-20-24(29)9-10-27(23)32)28(33)31(2)26-7-5-4-6-8-26/h4-10,19-20,25,30H,3,11-18,21H2,1-2H3/q+1