2-[4-(3-ethoxypropoxy)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-(3-ethoxypropoxy)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-(3-ethoxypropoxy)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-(3-ethoxypropoxy)phenyl]-1-formyl-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 2-[4-(3-ethoxypropoxy)phenyl]-1-formyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 2-[4-(3-ethoxypropoxy)phenyl]-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C36H44N3O5+ MolecularWeight: 598.75166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H44N3O5/c1-3-42-20-9-21-44-33-16-14-28(15-17-33)35-25-30(36(41)38(2)32-11-5-4-6-12-32)24-29-10-7-8-13-34(29)39(35,27-40)26-37-31-18-22-43-23-19-31/h4-8,10-17,24,27,31,35,37H,3,9,18-23,25-26H2,1-2H3/q+1