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

Systemtic Name: (5S)-4-azanyl-5-(2-methoxyphenyl)-3-(3-oxidanylpropyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-(3-hydroxypropyl)-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-(3-hydroxypropyl)-5-(2-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-(3-hydroxypropyl)-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-(3-hydroxypropyl)-5-(2-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCCO)N

Isomeric SMILES

COC1=CC=CC=C1[C@H]2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCCO)N

InChI

InChI=1S/C21H21N3O4/c1-27-16-6-3-2-5-14(16)18-15-8-7-13(26)11-17(15)28-21-19(18)20(22)24(12-23-21)9-4-10-25/h2-3,5-8,11-12,18,22,25-26H,4,9-10H2,1H3/p+1/t18-/m0/s1