[2-(7-methylquinolin-1-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(7-methylquinolin-1-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-(7-methylquinolin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-(7-methyl-1-quinolin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(7-methylquinolin-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-(7-methylquinolin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C12H16NO7P2+ MolecularWeight: 348.205462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=[N+]2CC(O)(P(=O)(O)O)P(=O)(O)O)C=C1

Isomeric SMILES

CC1=CC2=C(C=CC=[N+]2CC(O)(P(=O)(O)O)P(=O)(O)O)C=C1

InChI

InChI=1S/C12H15NO7P2/c1-9-4-5-10-3-2-6-13(11(10)7-9)8-12(14,21(15,16)17)22(18,19)20/h2-7,14H,8H2,1H3,(H3-,15,16,17,18,19,20)/p+1