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

Systemtic Name: 2-[(5S)-4-azanyl-5-(2-methoxyphenyl)-8-oxidanyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(5S)-4-amino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(5S)-4-amino-8-hydroxy-5-(2-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethylammonium IUPAC Name: 2-[(5S)-4-amino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-amino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium Formula: C22H26N4O3+2 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[N+]1=C(C2=C(N=C1)OC3=C(C2C4=CC=CC=C4OC)C=CC(=C3)O)N

Isomeric SMILES

C[NH+](C)CC[N+]1=C(C2=C(N=C1)OC3=C([C@@H]2C4=CC=CC=C4OC)C=CC(=C3)O)N

InChI

InChI=1S/C22H24N4O3/c1-25(2)10-11-26-13-24-22-20(21(26)23)19(15-6-4-5-7-17(15)28-3)16-9-8-14(27)12-18(16)29-22/h4-9,12-13,19,23,27H,10-11H2,1-3H3/p+2/t19-/m0/s1