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

Systemtic Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-ethyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-ethyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-ethyl-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-ethyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-ethyl-N-methyl-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:

CC[N+]1(C(CC(=CC2=CC=CC=C21)C(=O)N(C)C3=CC=CC=C3)C4=CC=C(C=C4)OCCOCC)CNC5CCOCC5

Isomeric SMILES

CC[N+]1(C(CC(=CC2=CC=CC=C21)C(=O)N(C)C3=CC=CC=C3)C4=CC=C(C=C4)OCCOCC)CNC5CCOCC5

InChI

InChI=1S/C36H46N3O4/c1-4-39(27-37-31-19-21-42-22-20-31)34-14-10-9-11-29(34)25-30(36(40)38(3)32-12-7-6-8-13-32)26-35(39)28-15-17-33(18-16-28)43-24-23-41-5-2/h6-18,25,31,35,37H,4-5,19-24,26-27H2,1-3H3/q+1