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

Systemtic Name: 2-[(5S)-4-azanyl-5-(furan-2-yl)-8-oxidanyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[(5S)-4-amino-5-(2-furyl)-8-hydroxy-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[(5S)-4-amino-5-(2-furanyl)-8-hydroxy-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethylammonium IUPAC Name: 2-[(5S)-4-amino-5-(furan-2-yl)-8-hydroxy-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethylazanium Traditional Name: 2-[(5S)-4-amino-5-(2-furyl)-8-hydroxy-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-ammonium Formula: C21H26N4O3+2 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-3-24(4-2)9-10-25-13-23-21-19(20(25)22)18(16-6-5-11-27-16)15-8-7-14(26)12-17(15)28-21/h5-8,11-13,18,22,26H,3-4,9-10H2,1-2H3/p+2/t18-/m1/s1