2-[4-(2-butoxyethoxy)phenyl]-1-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C38H50N3O4+ MolecularWeight: 612.8213

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C38H50N3O4/c1-4-6-22-43-25-26-45-35-18-16-30(17-19-35)37-28-32(38(42)40(3)34-13-8-7-9-14-34)27-31-12-10-11-15-36(31)41(37,5-2)29-39-33-20-23-44-24-21-33/h7-19,27,33,37,39H,4-6,20-26,28-29H2,1-3H3/q+1