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

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-1-[(oxan-4-ylamino)methyl]-N,1-diphenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-N,1-diphenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-1-[(4-oxanylamino)methyl]-N,1-diphenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-1-[(oxan-4-ylamino)methyl]-N,1-diphenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-N,1-diphenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C42H50N3O4+ MolecularWeight: 660.8641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CNC5CCOCC5)C6=CC=CC=C6

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CNC5CCOCC5)C6=CC=CC=C6

InChI

InChI=1S/C42H50N3O4/c1-3-4-25-47-28-29-49-40-18-15-33(16-19-40)34-17-20-41-36(30-34)31-35(42(46)44(2)38-11-7-5-8-12-38)21-24-45(41,39-13-9-6-10-14-39)32-43-37-22-26-48-27-23-37/h5-20,30-31,37,43H,3-4,21-29,32H2,1-2H3/q+1