1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl)propan-1-one

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl)propan-1-one Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl)propan-1-one CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl)-1-propanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl)propan-1-one Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl)propan-1-one Formula: C21H24NO3+ MolecularWeight: 338.42016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC2=CC=CC=C21)CCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[NH+](CCC2=CC=CC=C21)CCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23NO3/c23-19(18-5-6-20-21(15-18)25-14-13-24-20)9-12-22-10-7-16-3-1-2-4-17(16)8-11-22/h1-6,15H,7-14H2/p+1