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

Systemtic Name: 3-[(5S)-4-azanyl-5-(furan-2-yl)-8-oxidanyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[(5S)-4-amino-5-(2-furyl)-8-hydroxy-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[(5S)-4-amino-5-(2-furanyl)-8-hydroxy-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethylammonium IUPAC Name: 3-[(5S)-4-amino-5-(furan-2-yl)-8-hydroxy-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-4-amino-5-(2-furyl)-8-hydroxy-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-ammonium Formula: C20H24N4O3+2 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3/c1-23(2)8-4-9-24-12-22-20-18(19(24)21)17(15-5-3-10-26-15)14-7-6-13(25)11-16(14)27-20/h3,5-7,10-12,17,21,25H,4,8-9H2,1-2H3/p+2/t17-/m1/s1