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

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-1-prop-2-enyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 1-allyl-7-[4-(2-butoxyethoxy)phenyl]-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]-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-1-prop-2-enyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-1-prop-2-enyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 1-allyl-7-[4-(2-butoxyethoxy)phenyl]-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C39H50N3O4+ MolecularWeight: 624.832

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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=C)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=C)CNC5CCOCC5

InChI

InChI=1S/C39H50N3O4/c1-4-6-23-44-26-27-46-37-15-12-31(13-16-37)32-14-17-38-34(28-32)29-33(39(43)41(3)36-10-8-7-9-11-36)18-22-42(38,21-5-2)30-40-35-19-24-45-25-20-35/h5,7-17,28-29,35,40H,2,4,6,18-27,30H2,1,3H3/q+1