[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 2-[2-(3-methylphenoxy)ethoxy]ethyl phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 2-[2-(3-methylphenoxy)ethoxy]ethyl phosphate Openeye Name: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 2-[2-(3-methylphenoxy)ethoxy]ethyl phosphate CAS Name: [(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-oxolanyl]methyl 2-[2-(3-methylphenoxy)ethoxy]ethyl phosphate IUPAC Name: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-[2-(3-methylphenoxy)ethoxy]ethyl phosphate Traditional Name: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 2-[2-(3-methylphenoxy)ethoxy]ethyl phosphate Formula: C22H29N2O10P MolecularWeight: 512.446821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOCCOP(=O)([O-])OCC2C(C(C(O2)[N+]3=CC=CC(=C3)C(=O)N)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCOCCOP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)[N+]3=CC=CC(=C3)C(=O)N)O)O

InChI

InChI=1S/C22H29N2O10P/c1-15-4-2-6-17(12-15)31-10-8-30-9-11-32-35(28,29)33-14-18-19(25)20(26)22(34-18)24-7-3-5-16(13-24)21(23)27/h2-7,12-13,18-20,22,25-26H,8-11,14H2,1H3,(H2-,23,27,28,29)/t18-,19-,20-,22-/m1/s1