(5S)-4-azanyl-3-butyl-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one

Systemtic Name: (5S)-4-azanyl-3-butyl-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Openeye Name: (5S)-4-amino-3-butyl-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one CAS Name: (5S)-4-amino-3-butyl-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-6-one IUPAC Name: (5S)-4-amino-3-butyl-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Traditional Name: (5S)-4-amino-3-butyl-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Formula: C23H28N3O2+ MolecularWeight: 378.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2/c1-4-5-11-26-14-25-22-20(21(26)24)18(15-9-7-6-8-10-15)19-16(27)12-23(2,3)13-17(19)28-22/h6-10,14,18,24H,4-5,11-13H2,1-3H3/p+1/t18-/m1/s1