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

Systemtic Name: 2-[4-(3-ethoxypropoxy)phenyl]-N,1-dimethyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 2-[4-(3-ethoxypropoxy)phenyl]-N,1-dimethyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 2-[4-(3-ethoxypropoxy)phenyl]-N,1-dimethyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 2-[4-(3-ethoxypropoxy)phenyl]-N,1-dimethyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 2-[4-(3-ethoxypropoxy)phenyl]-N,1-dimethyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C36H46N3O4+ MolecularWeight: 584.76814

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3[N+]2(C)CNC4CCOCC4)C(=O)N(C)C5=CC=CC=C5

Isomeric SMILES

CCOCCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3[N+]2(C)CNC4CCOCC4)C(=O)N(C)C5=CC=CC=C5

InChI

InChI=1S/C36H46N3O4/c1-4-41-21-10-22-43-33-17-15-28(16-18-33)35-26-30(36(40)38(2)32-12-6-5-7-13-32)25-29-11-8-9-14-34(29)39(35,3)27-37-31-19-23-42-24-20-31/h5-9,11-18,25,31,35,37H,4,10,19-24,26-27H2,1-3H3/q+1