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

Systemtic Name: (5S)-4-azanyl-3-butyl-5-(3,4-dimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-butyl-5-(3,4-dimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-butyl-5-(3,4-dimethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-butyl-5-(3,4-dimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-butyl-5-(3,4-dimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C23H26N3O4+ MolecularWeight: 408.47024

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)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)OC)C=CC(=C3)O)N

InChI

InChI=1S/C23H25N3O4/c1-4-5-10-26-13-25-23-21(22(26)24)20(16-8-7-15(27)12-18(16)30-23)14-6-9-17(28-2)19(11-14)29-3/h6-9,11-13,20,24,27H,4-5,10H2,1-3H3/p+1/t20-/m0/s1