7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,1-dimethyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide

Systemtic Name: 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,1-dimethyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,1-dimethyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,1-dimethyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,1-dimethyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,1-dimethyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C33H38N3O4+ MolecularWeight: 540.67252

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=CC(=C3)C4=CC5=C(C=C4)OCCO5)[N+](CC2)(C)CNC6CCOCC6

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=CC(=C3)C4=CC5=C(C=C4)OCCO5)[N+](CC2)(C)CNC6CCOCC6

InChI

InChI=1S/C33H38N3O4/c1-35(29-6-4-3-5-7-29)33(37)26-12-15-36(2,23-34-28-13-16-38-17-14-28)30-10-8-24(20-27(30)21-26)25-9-11-31-32(22-25)40-19-18-39-31/h3-11,20-22,28,34H,12-19,23H2,1-2H3/q+1