(2-oxidanylideneazepan-1-yl)methyl-(piperidin-1-ium-1-ylmethyl)phosphinate

Systemtic Name: (2-oxidanylideneazepan-1-yl)methyl-(piperidin-1-ium-1-ylmethyl)phosphinate Openeye Name: (2-oxoazepan-1-yl)methyl-(piperidin-1-ium-1-ylmethyl)phosphinate CAS Name: (2-oxo-1-azepanyl)methyl-(1-piperidin-1-iumylmethyl)phosphinate IUPAC Name: (2-oxoazepan-1-yl)methyl-(piperidin-1-ium-1-ylmethyl)phosphinate Traditional Name: (2-ketoazepan-1-yl)methyl-(piperidin-1-ium-1-ylmethyl)phosphinate Formula: C13H25N2O3P MolecularWeight: 288.322961

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CP(=O)(C[NH+]2CCCCC2)[O-]

Isomeric SMILES

C1CCC(=O)N(CC1)CP(=O)(C[NH+]2CCCCC2)[O-]

InChI

InChI=1S/C13H25N2O3P/c16-13-7-3-1-6-10-15(13)12-19(17,18)11-14-8-4-2-5-9-14/h1-12H2,(H,17,18)