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

Systemtic Name: 2-[(5S)-4-azanyl-8-oxidanyl-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(5S)-4-amino-8-hydroxy-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(5S)-4-amino-8-hydroxy-5-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethylammonium IUPAC Name: 2-[(5S)-4-amino-8-hydroxy-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-amino-8-hydroxy-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium Formula: C21H24N4O2+2 MolecularWeight: 364.44086

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

InChI

InChI=1S/C21H22N4O2/c1-24(2)10-11-25-13-23-21-19(20(25)22)18(14-6-4-3-5-7-14)16-9-8-15(26)12-17(16)27-21/h3-9,12-13,18,22,26H,10-11H2,1-2H3/p+2/t18-/m0/s1