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

Systemtic Name: (5S)-4-azanyl-3-(3-oxidanylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-(3-hydroxypropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-(3-hydroxypropyl)-5-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-(3-hydroxypropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-(3-hydroxypropyl)-5-phenyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3/c21-19-18-17(13-5-2-1-3-6-13)15-8-7-14(25)11-16(15)26-20(18)22-12-23(19)9-4-10-24/h1-3,5-8,11-12,17,21,24-25H,4,9-10H2/p+1/t17-/m0/s1