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

Systemtic Name: 2-[4-(2-butoxyethoxy)phenyl]-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-1-propyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 2-[4-(2-butoxyethoxy)phenyl]-N-methyl-N-phenyl-1-propyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 2-[4-(2-butoxyethoxy)phenyl]-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-1-propyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 2-[4-(2-butoxyethoxy)phenyl]-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-1-propyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 2-[4-(2-butoxyethoxy)phenyl]-N-methyl-N-phenyl-1-propyl-1-[(tetrahydropyran-4-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)C2CC(=CC3=CC=CC=C3[N+]2(CCC)CNC4CCOCC4)C(=O)N(C)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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