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

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-1-[(oxan-3-ylamino)methyl]-N-phenyl-1-propyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-N-phenyl-1-propyl-1-[(tetrahydropyran-3-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-1-[(3-oxanylamino)methyl]-N-phenyl-1-propyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-1-[(oxan-3-ylamino)methyl]-N-phenyl-1-propyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-N-phenyl-1-propyl-1-[(tetrahydropyran-3-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C39H52N3O4+ MolecularWeight: 626.84788

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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)(CCC)CNC5CCCOC5

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CCC)CNC5CCCOC5

InChI

InChI=1S/C39H52N3O4/c1-4-6-23-44-25-26-46-37-17-14-31(15-18-37)32-16-19-38-34(27-32)28-33(39(43)41(3)36-12-8-7-9-13-36)20-22-42(38,21-5-2)30-40-35-11-10-24-45-29-35/h7-9,12-19,27-28,35,40H,4-6,10-11,20-26,29-30H2,1-3H3/q+1