2-(diethoxyphosphorylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium

Systemtic Name: 2-(diethoxyphosphorylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium Openeye Name: 2-(diethoxyphosphorylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium CAS Name: 2-(diethoxyphosphorylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium IUPAC Name: 2-(diethoxyphosphorylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium Traditional Name: 2-(diethoxyphosphorylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium Formula: C15H25NO3P+ MolecularWeight: 298.337661

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C[NH+]1CCCC2=CC=CC=C2C1)OCC

Isomeric SMILES

CCOP(=O)(C[NH+]1CCCC2=CC=CC=C2C1)OCC

InChI

InChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)13-16-11-7-10-14-8-5-6-9-15(14)12-16/h5-6,8-9H,3-4,7,10-13H2,1-2H3/p+1