7-[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: 7-[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: 7-[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: 7-[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: 7-[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: 7-[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(CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)OCCOCC)C(=O)N(C)C4=CC=CC=C4)CNC5CCOCC5

Isomeric SMILES

CC[N+]1(CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)OCCOCC)C(=O)N(C)C4=CC=CC=C4)CNC5CCOCC5

InChI

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