2-[4-(2-ethoxyethoxy)-3-fluoranyl-phenyl]-1-methanoyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide

Systemtic Name: 2-[4-(2-ethoxyethoxy)-3-fluoranyl-phenyl]-1-methanoyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 2-[4-(2-ethoxyethoxy)-3-fluoro-phenyl]-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 2-[4-(2-ethoxyethoxy)-3-fluorophenyl]-1-formyl-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 2-[4-(2-ethoxyethoxy)-3-fluorophenyl]-1-formyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 2-[4-(2-ethoxyethoxy)-3-fluoro-phenyl]-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C35H41FN3O5+ MolecularWeight: 602.715543

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=C(C=C(C=C1)C2CC(=CC3=CC=CC=C3[N+]2(CNC4CCOCC4)C=O)C(=O)N(C)C5=CC=CC=C5)F

Isomeric SMILES

CCOCCOC1=C(C=C(C=C1)C2CC(=CC3=CC=CC=C3[N+]2(CNC4CCOCC4)C=O)C(=O)N(C)C5=CC=CC=C5)F

InChI

InChI=1S/C35H41FN3O5/c1-3-42-19-20-44-34-14-13-27(22-31(34)36)33-23-28(35(41)38(2)30-10-5-4-6-11-30)21-26-9-7-8-12-32(26)39(33,25-40)24-37-29-15-17-43-18-16-29/h4-14,21-22,25,29,33,37H,3,15-20,23-24H2,1-2H3/q+1