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

Systemtic Name: 3-[(5S)-4-azanyl-5-(furan-2-yl)-8-oxidanyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-diethyl-azanium Openeye Name: 3-[(5S)-4-amino-5-(2-furyl)-8-hydroxy-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-diethyl-ammonium CAS Name: 3-[(5S)-4-amino-5-(2-furanyl)-8-hydroxy-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-3-yl]propyl-diethylammonium IUPAC Name: 3-[(5S)-4-amino-5-(furan-2-yl)-8-hydroxy-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-diethylazanium Traditional Name: 3-[(5S)-4-amino-5-(2-furyl)-8-hydroxy-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-diethyl-ammonium Formula: C22H28N4O3+2 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-3-25(4-2)10-6-11-26-14-24-22-20(21(26)23)19(17-7-5-12-28-17)16-9-8-15(27)13-18(16)29-22/h5,7-9,12-14,19,23,27H,3-4,6,10-11H2,1-2H3/p+2/t19-/m1/s1