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

Systemtic Name: 4-(diethoxyphosphorylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-(diethoxyphosphorylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-(diethoxyphosphorylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-(diethoxyphosphorylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(diethoxyphosphorylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C14H23NO4P+ MolecularWeight: 300.310481

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C[NH+]1CCOC2=CC=CC=C2C1)OCC

Isomeric SMILES

CCOP(=O)(C[NH+]1CCOC2=CC=CC=C2C1)OCC

InChI

InChI=1S/C14H22NO4P/c1-3-18-20(16,19-4-2)12-15-9-10-17-14-8-6-5-7-13(14)11-15/h5-8H,3-4,9-12H2,1-2H3/p+1