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

Systemtic Name: (5S)-4-azanyl-3-(2-hydroxyethyl)-5-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-(2-hydroxyethyl)-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-(2-hydroxyethyl)-5-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-(2-hydroxyethyl)-5-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-(2-hydroxyethyl)-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C20H20N3O3+ MolecularWeight: 350.3911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCO)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCO)N

InChI

InChI=1S/C20H19N3O3/c1-12-2-4-13(5-3-12)17-15-7-6-14(25)10-16(15)26-20-18(17)19(21)23(8-9-24)11-22-20/h2-7,10-11,17,21,24-25H,8-9H2,1H3/p+1/t17-/m0/s1