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

Systemtic Name: 2-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]-1-methanoyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 2-[3-ethoxy-4-(2-isopropoxyethoxy)phenyl]-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 2-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]-1-formyl-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 2-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]-1-formyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 2-[3-ethoxy-4-(2-isopropoxyethoxy)phenyl]-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C38H48N3O6+ MolecularWeight: 642.80422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2CC(=CC3=CC=CC=C3[N+]2(CNC4CCOCC4)C=O)C(=O)N(C)C5=CC=CC=C5)OCCOC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2CC(=CC3=CC=CC=C3[N+]2(CNC4CCOCC4)C=O)C(=O)N(C)C5=CC=CC=C5)OCCOC(C)C

InChI

InChI=1S/C38H48N3O6/c1-5-45-37-25-30(15-16-36(37)47-22-21-46-28(2)3)35-24-31(38(43)40(4)33-12-7-6-8-13-33)23-29-11-9-10-14-34(29)41(35,27-42)26-39-32-17-19-44-20-18-32/h6-16,23,25,27-28,32,35,39H,5,17-22,24,26H2,1-4H3/q+1