2-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-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-but-2-ynyl-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-but-2-ynyl-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-but-2-ynyl-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-but-2-ynyl-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-but-2-ynyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C40H50N3O4+ MolecularWeight: 636.8427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3[N+]2(CC#CC)CNC4CCOCC4)C(=O)N(C)C5=CC=CC=C5

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3[N+]2(CC#CC)CNC4CCOCC4)C(=O)N(C)C5=CC=CC=C5

InChI

InChI=1S/C40H50N3O4/c1-4-6-23-43(31-41-35-21-25-46-26-22-35)38-16-12-11-13-33(38)29-34(40(44)42(3)36-14-9-8-10-15-36)30-39(43)32-17-19-37(20-18-32)47-28-27-45-24-7-5-2/h8-20,29,35,39,41H,5,7,21-28,30-31H2,1-3H3/q+1