(5S)-4-azanyl-3-(2-hydroxyethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol

Systemtic Name: (5S)-4-azanyl-3-(2-hydroxyethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-(2-hydroxyethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-(2-hydroxyethyl)-5-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-(2-hydroxyethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-(2-hydroxyethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C19H18N3O3+ MolecularWeight: 336.36452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCO)N

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCO)N

InChI

InChI=1S/C19H17N3O3/c20-18-17-16(12-4-2-1-3-5-12)14-7-6-13(24)10-15(14)25-19(17)21-11-22(18)8-9-23/h1-7,10-11,16,20,23-24H,8-9H2/p+1/t16-/m0/s1