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

Systemtic Name: 3-[(5S)-4-azanyl-5-(4-methylphenyl)-8-oxidanyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-diethyl-azanium Openeye Name: 3-[(5S)-4-amino-8-hydroxy-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-diethyl-ammonium CAS Name: 3-[(5S)-4-amino-8-hydroxy-5-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-3-yl]propyl-diethylammonium IUPAC Name: 3-[(5S)-4-amino-8-hydroxy-5-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-diethylazanium Traditional Name: 3-[(5S)-4-amino-8-hydroxy-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-diethyl-ammonium Formula: C25H32N4O2+2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2/c1-4-28(5-2)13-6-14-29-16-27-25-23(24(29)26)22(18-9-7-17(3)8-10-18)20-12-11-19(30)15-21(20)31-25/h7-12,15-16,22,26,30H,4-6,13-14H2,1-3H3/p+2/t22-/m0/s1