7-[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: 7-[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: 7-[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: 7-[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: 7-[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: 7-[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)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CC)CNC5CCOCC5

Isomeric SMILES

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

InChI

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