(2-oxidanylideneazepan-1-yl)methyl-(piperidin-1-ium-1-ylmethyl)phosphinic acid

Systemtic Name: (2-oxidanylideneazepan-1-yl)methyl-(piperidin-1-ium-1-ylmethyl)phosphinic acid Openeye Name: (2-oxoazepan-1-yl)methyl-(piperidin-1-ium-1-ylmethyl)phosphinic acid CAS Name: (2-oxo-1-azepanyl)methyl-(1-piperidin-1-iumylmethyl)phosphinic acid IUPAC Name: (2-oxoazepan-1-yl)methyl-(piperidin-1-ium-1-ylmethyl)phosphinic acid Traditional Name: (2-ketoazepan-1-yl)methyl-(piperidin-1-ium-1-ylmethyl)phosphinic acid Formula: C13H26N2O3P+ MolecularWeight: 289.330901

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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)/p+1