2-[4-(2-ethoxyethoxy)phenyl]-N-methyl-1-methylsulfonyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide

Systemtic Name: 2-[4-(2-ethoxyethoxy)phenyl]-N-methyl-1-methylsulfonyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 2-[4-(2-ethoxyethoxy)phenyl]-N-methyl-1-methylsulfonyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 2-[4-(2-ethoxyethoxy)phenyl]-N-methyl-1-methylsulfonyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 2-[4-(2-ethoxyethoxy)phenyl]-N-methyl-1-methylsulfonyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-mesyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C35H44N3O6S+ MolecularWeight: 634.80536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3[N+]2(CNC4CCOCC4)S(=O)(=O)C)C(=O)N(C)C5=CC=CC=C5

Isomeric SMILES

CCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3[N+]2(CNC4CCOCC4)S(=O)(=O)C)C(=O)N(C)C5=CC=CC=C5

InChI

InChI=1S/C35H44N3O6S/c1-4-42-22-23-44-32-16-14-27(15-17-32)34-25-29(35(39)37(2)31-11-6-5-7-12-31)24-28-10-8-9-13-33(28)38(34,45(3,40)41)26-36-30-18-20-43-21-19-30/h5-17,24,30,34,36H,4,18-23,25-26H2,1-3H3/q+1