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

Systemtic Name: 2-[(5S)-4-azanyl-5-(2-methoxyphenyl)-8-oxidanyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[(5S)-4-amino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[(5S)-4-amino-8-hydroxy-5-(2-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethylammonium IUPAC Name: 2-[(5S)-4-amino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethylazanium Traditional Name: 2-[(5S)-4-amino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-ammonium Formula: C24H30N4O3+2 MolecularWeight: 422.52

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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=C4OC)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=C4OC)C=CC(=C3)O)N

InChI

InChI=1S/C24H28N4O3/c1-4-27(5-2)12-13-28-15-26-24-22(23(28)25)21(17-8-6-7-9-19(17)30-3)18-11-10-16(29)14-20(18)31-24/h6-11,14-15,21,25,29H,4-5,12-13H2,1-3H3/p+2/t21-/m0/s1