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

Systemtic Name: (5S)-4-azanyl-3-butyl-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-butyl-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-butyl-5-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-butyl-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-butyl-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C22H24N3O3+ MolecularWeight: 378.44426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C2=C(N=C1)OC3=C(C2C4=CC=C(C=C4)OC)C=CC(=C3)O)N

Isomeric SMILES

CCCC[N+]1=C(C2=C(N=C1)OC3=C([C@@H]2C4=CC=C(C=C4)OC)C=CC(=C3)O)N

InChI

InChI=1S/C22H23N3O3/c1-3-4-11-25-13-24-22-20(21(25)23)19(14-5-8-16(27-2)9-6-14)17-10-7-15(26)12-18(17)28-22/h5-10,12-13,19,23,26H,3-4,11H2,1-2H3/p+1/t19-/m0/s1