(5S)-4-azanyl-3-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol

Systemtic Name: (5S)-4-azanyl-3-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-(3-imidazol-1-ylpropyl)-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-[3-(1-imidazolyl)propyl]-5-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-(3-imidazol-1-ylpropyl)-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C24H24N5O2+ MolecularWeight: 414.47966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCCN5C=CN=C5)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCCN5C=CN=C5)N

InChI

InChI=1S/C24H23N5O2/c1-16-3-5-17(6-4-16)21-19-8-7-18(30)13-20(19)31-24-22(21)23(25)29(15-27-24)11-2-10-28-12-9-26-14-28/h3-9,12-15,21,25,30H,2,10-11H2,1H3/p+1/t21-/m0/s1