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

Systemtic Name: (5S)-4-azanyl-8,8-dimethyl-3-(3-oxidanylpropyl)-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Openeye Name: (5S)-4-amino-3-(3-hydroxypropyl)-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one CAS Name: (5S)-4-amino-3-(3-hydroxypropyl)-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-(3-hydroxypropyl)-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Traditional Name: (5S)-4-amino-3-(3-hydroxypropyl)-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Formula: C22H26N3O3+ MolecularWeight: 380.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(O2)N=C[N+](=C3N)CCCO)C4=CC=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C3=C(O2)N=C[N+](=C3N)CCCO)C4=CC=CC=C4)C(=O)C1)C

InChI

InChI=1S/C22H25N3O3/c1-22(2)11-15(27)18-16(12-22)28-21-19(17(18)14-7-4-3-5-8-14)20(23)25(13-24-21)9-6-10-26/h3-5,7-8,13,17,23,26H,6,9-12H2,1-2H3/p+1/t17-/m1/s1