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

Systemtic Name: 2-[(5S)-4-azanyl-8-oxidanyl-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[(5S)-4-amino-8-hydroxy-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[(5S)-4-amino-8-hydroxy-5-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethylammonium IUPAC Name: 2-[(5S)-4-amino-8-hydroxy-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethylazanium Traditional Name: 2-[(5S)-4-amino-8-hydroxy-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-ammonium Formula: C23H28N4O2+2 MolecularWeight: 392.49402

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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=CC=C4)C=CC(=C3)O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2/c1-3-26(4-2)12-13-27-15-25-23-21(22(27)24)20(16-8-6-5-7-9-16)18-11-10-17(28)14-19(18)29-23/h5-11,14-15,20,24,28H,3-4,12-13H2,1-2H3/p+2/t20-/m0/s1