2-[(5S)-4-azanyl-5-(furan-2-yl)-8-oxidanyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5S)-4-azanyl-5-(furan-2-yl)-8-oxidanyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(5S)-4-amino-5-(2-furyl)-8-hydroxy-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(5S)-4-amino-5-(2-furanyl)-8-hydroxy-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethylammonium IUPAC Name: 2-[(5S)-4-amino-5-(furan-2-yl)-8-hydroxy-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-amino-5-(2-furyl)-8-hydroxy-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium Formula: C19H22N4O3+2 MolecularWeight: 354.40298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[N+]1=C(C2=C(N=C1)OC3=C(C2C4=CC=CO4)C=CC(=C3)O)N

Isomeric SMILES

C[NH+](C)CC[N+]1=C(C2=C(N=C1)OC3=C([C@@H]2C4=CC=CO4)C=CC(=C3)O)N

InChI

InChI=1S/C19H20N4O3/c1-22(2)7-8-23-11-21-19-17(18(23)20)16(14-4-3-9-25-14)13-6-5-12(24)10-15(13)26-19/h3-6,9-11,16,20,24H,7-8H2,1-2H3/p+2/t16-/m1/s1