sodium 2,3-dihydro-1H-inden-2-yl-[(2-oxidanylideneazepan-1-yl)methyl]phosphinate

Systemtic Name: sodium 2,3-dihydro-1H-inden-2-yl-[(2-oxidanylideneazepan-1-yl)methyl]phosphinate Openeye Name: sodium indan-2-yl-[(2-oxoazepan-1-yl)methyl]phosphinate CAS Name: sodium 2,3-dihydro-1H-inden-2-yl-[(2-oxo-1-azepanyl)methyl]phosphinate IUPAC Name: sodium 2,3-dihydro-1H-inden-2-yl-[(2-oxoazepan-1-yl)methyl]phosphinate Traditional Name: sodium indan-2-yl-[(2-ketoazepan-1-yl)methyl]phosphinate Formula: C16H21NNaO3P MolecularWeight: 329.306371

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CP(=O)(C2CC3=CC=CC=C3C2)[O-].[Na+]

Isomeric SMILES

C1CCC(=O)N(CC1)CP(=O)(C2CC3=CC=CC=C3C2)[O-].[Na+]

InChI

InChI=1S/C16H22NO3P.Na/c18-16-8-2-1-5-9-17(16)12-21(19,20)15-10-13-6-3-4-7-14(13)11-15;/h3-4,6-7,15H,1-2,5,8-12H2,(H,19,20);/q;+1/p-1