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

Systemtic Name: 2-[4-(2-butoxyethoxy)phenyl]-1-cyclopropyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 2-[4-(2-butoxyethoxy)phenyl]-1-cyclopropyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 2-[4-(2-butoxyethoxy)phenyl]-1-cyclopropyl-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 2-[4-(2-butoxyethoxy)phenyl]-1-cyclopropyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 2-[4-(2-butoxyethoxy)phenyl]-1-cyclopropyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C39H50N3O4+ MolecularWeight: 624.832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3[N+]2(CNC4CCOCC4)C5CC5)C(=O)N(C)C6=CC=CC=C6

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3[N+]2(CNC4CCOCC4)C5CC5)C(=O)N(C)C6=CC=CC=C6

InChI

InChI=1S/C39H50N3O4/c1-3-4-22-44-25-26-46-36-18-14-30(15-19-36)38-28-32(39(43)41(2)34-11-6-5-7-12-34)27-31-10-8-9-13-37(31)42(38,35-16-17-35)29-40-33-20-23-45-24-21-33/h5-15,18-19,27,33,35,38,40H,3-4,16-17,20-26,28-29H2,1-2H3/q+1