[2-(nonylcarbamoyloxy)-3-pyridin-1-ium-1-yl-propyl]phosphonic acid

Systemtic Name: [2-(nonylcarbamoyloxy)-3-pyridin-1-ium-1-yl-propyl]phosphonic acid Openeye Name: [2-(nonylcarbamoyloxy)-3-pyridin-1-ium-1-yl-propyl]phosphonic acid CAS Name: [2-[(nonylamino)-oxomethoxy]-3-(1-pyridin-1-iumyl)propyl]phosphonic acid IUPAC Name: [2-(nonylcarbamoyloxy)-3-pyridin-1-ium-1-ylpropyl]phosphonic acid Traditional Name: [2-(nonylcarbamoyloxy)-3-pyridin-1-ium-1-yl-propyl]phosphonic acid Formula: C18H32N2O5P+ MolecularWeight: 387.430841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC(=O)OC(C[N+]1=CC=CC=C1)CP(=O)(O)O

Isomeric SMILES

CCCCCCCCCNC(=O)OC(C[N+]1=CC=CC=C1)CP(=O)(O)O

InChI

InChI=1S/C18H31N2O5P/c1-2-3-4-5-6-7-9-12-19-18(21)25-17(16-26(22,23)24)15-20-13-10-8-11-14-20/h8,10-11,13-14,17H,2-7,9,12,15-16H2,1H3,(H2-,19,21,22,23,24)/p+1