2-[(5S)-4-azanyl-5-(4-methylphenyl)-8-oxidanyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5S)-4-azanyl-5-(4-methylphenyl)-8-oxidanyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(5S)-4-amino-8-hydroxy-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(5S)-4-amino-8-hydroxy-5-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethylammonium IUPAC Name: 2-[(5S)-4-amino-8-hydroxy-5-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-amino-8-hydroxy-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium Formula: C22H26N4O2+2 MolecularWeight: 378.46744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CC[NH+](C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CC[NH+](C)C)N

InChI

InChI=1S/C22H24N4O2/c1-14-4-6-15(7-5-14)19-17-9-8-16(27)12-18(17)28-22-20(19)21(23)26(13-24-22)11-10-25(2)3/h4-9,12-13,19,23,27H,10-11H2,1-3H3/p+2/t19-/m0/s1