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

Systemtic Name: (5S)-4-azanyl-3-butyl-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-butyl-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-butyl-5-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-butyl-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-butyl-5-phenyl-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2/c1-2-3-11-24-13-23-21-19(20(24)22)18(14-7-5-4-6-8-14)16-10-9-15(25)12-17(16)26-21/h4-10,12-13,18,22,25H,2-3,11H2,1H3/p+1/t18-/m0/s1