1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-phenyl-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-(5-phenyl-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-(5-phenyl-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-(5-phenyl-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-(5-phenyl-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-(5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl)propan-1-one Formula: C27H28NO3+ MolecularWeight: 414.51612

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C2=CC=CC=C21)C3=CC=CC=C3)CCC(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[NH+](CC(C2=CC=CC=C21)C3=CC=CC=C3)CCC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H27NO3/c29-25(22-10-11-26-27(18-22)31-17-16-30-26)13-15-28-14-12-21-8-4-5-9-23(21)24(19-28)20-6-2-1-3-7-20/h1-11,18,24H,12-17,19H2/p+1