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

Systemtic Name: 1-ethanoyl-N-methyl-7-(4-morpholin-4-ylphenyl)-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 1-acetyl-N-methyl-7-(4-morpholinophenyl)-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 1-acetyl-N-methyl-7-[4-(4-morpholinyl)phenyl]-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 1-acetyl-N-methyl-7-(4-morpholin-4-ylphenyl)-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 1-acetyl-N-methyl-7-(4-morpholinophenyl)-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C36H43N4O4+ MolecularWeight: 595.75102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)N4CCOCC4)C(=O)N(C)C5=CC=CC=C5)CNC6CCOCC6

Isomeric SMILES

CC(=O)[N+]1(CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)N4CCOCC4)C(=O)N(C)C5=CC=CC=C5)CNC6CCOCC6

InChI

InChI=1S/C36H43N4O4/c1-27(41)40(26-37-32-15-20-43-21-16-32)19-14-30(36(42)38(2)33-6-4-3-5-7-33)25-31-24-29(10-13-35(31)40)28-8-11-34(12-9-28)39-17-22-44-23-18-39/h3-13,24-25,32,37H,14-23,26H2,1-2H3/q+1